C23H22N2O3ClFS2 | Cheminformatics

2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide

Formula:C23H22N2O3ClFS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide is a drug-like molecule.

MolName2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
MolecularFormulaC23H22N2O3ClFS2
SmilesO=C(CN(C1CC1)S(c(cc1)ccc1Cl)(=O)=O)N(Cc1cccs1)Cc(cc1)ccc1F
InChIInChI=1S/C23H22ClFN2O3S2/c24-18-5-11-22(12-6-18)32(29,30)27(20-9-10-20)16-23(28)26(15-21-2-1-13-31-21)14-17-3-7-19(25)8-4-17/h1-8,11-13,20H,9-10,14-16H2
InChIKWSZYTRVNGPPXKM-UHFFFAOYSA-N
TotalMolweight493.022
Molweight493.022
MonoisotopicMass492.074438
CLogP4.1677
CLogS-4.63
H Acceptors5
TotalSurfaceArea345.22
Relative PSA0.2001
PolarSurfaceArea94.31
Druglikeness6.962
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms32
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms7
Symmetricatoms6
Amides2
StereoCon

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