C12H12N2O3S | Cheminformatics

2-acetamido-N-(furan-2-ylmethyl)thiophene-3-carboxamide

Formula:C12H12N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-acetamido-N-(furan-2-ylmethyl)thiophene-3-carboxamide is a drug-like molecule.

MolName2-acetamido-N-(furan-2-ylmethyl)thiophene-3-carboxamide
MolecularFormulaC12H12N2O3S
SmilesCC(Nc(scc1)c1C(NCc1ccco1)=O)=O
InChIInChI=1S/C12H12N2O3S/c1-8(15)14-12-10(4-6-18-12)11(16)13-7-9-3-2-5-17-9/h2-6H,7H2,1H3,(H,13,16)(H,14,15)
InChIKCQRIBROHPZSWEW-UHFFFAOYSA-N
TotalMolweight264.304
Molweight264.304
MonoisotopicMass264.056863
CLogP1.3829
CLogS-3.018
H Acceptors5
H Donors2
TotalSurfaceArea203.09
Relative PSA0.411
PolarSurfaceArea99.58
Druglikeness3.9872
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.61111
Fragments1
Non HAtoms18
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms10
Sp3Atoms2
Amides2
StereoCon

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