N-[(E)-1-(1-methylpyrrol-2-yl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]thiophene-2-carboxamide

Formula:C16H17N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-(1-methylpyrrol-2-yl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]thiophene-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-1-(1-methylpyrrol-2-yl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]thiophene-2-carboxamide
MolecularFormula	C16H17N3O2S
Smiles	Cn1c(/C=C(\C(NCC=C)=O)/NC(c2cccs2)=O)ccc1
InChI	InChI=1S/C16H17N3O2S/c1-3-8-17-15(20)13(11-12-6-4-9-19(12)2)18-16(21)14-7-5-10-22-14/h3-7,9-11H,1,8H2,2H3,(H,17,20)(H,18,21)
InChIK	URPXENNVAWJTBP-UHFFFAOYSA-N
TotalMolweight	315.396
Molweight	315.396
MonoisotopicMass	315.104147
CLogP	2.1662
CLogS	-2.596
H Acceptors	5
H Donors	2
TotalSurfaceArea	251.85
Relative PSA	0.30268
PolarSurfaceArea	91.37
Druglikeness	3.6874
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - N-[(E)-1-(1-methylpyrrol-2-yl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]thiophene-2-carboxamide | 2 - N-[(E)-1-(1-methylpyrrol-2-yl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]thiophene-2-carboxamide

Request More Details | N-[(E)-1-(1-methylpyrrol-2-yl)-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]thiophene-2-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments