4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide

C19H14N2OS — CID 8853563

IUPAC4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
SMILESN#Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C19H14N2OS/c20-13-14-8-10-16(11-9-14)19(22)21-18(17-7-4-12-23-17)15-5-2-1-3-6-15/h1-12,18H,(H,21,22)/t18-/m0/s1
InChIKeyRTMZOFRXDGBMIZ-SFHVURJKSA-N
MW318.40 g/mol
LogP4.14
Rot. Bonds4

About 4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide

4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide (PubChem CID 8853563) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
PubChem CID8853563
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
SMILESN#Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C19H14N2OS/c20-13-14-8-10-16(11-9-14)19(22)21-18(17-7-4-12-23-17)15-5-2-1-3-6-15/h1-12,18H,(H,21,22)/t18-/m0/s1
InChIKeyRTMZOFRXDGBMIZ-SFHVURJKSA-N
XLogP4.14
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820635
2-(4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9012921
4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide
CID 46564732
4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853824
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8854012
6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 41023450
4-cyano-N-[cyano(phenyl)methyl]benzamide
CID 60659354
(2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid
CID 30112923
3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820699
4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
CID 55659561
tert-butyl N-[4-[[phenyl(thiophen-2-yl)methyl]carbamoyl]phenyl]carbamate
CID 43021913

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide?
The IUPAC name of 4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide (CID 8853563) is 4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide?
The canonical SMILES for 4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide is N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccs2)cc1.
What is the InChIKey of 4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide?
The InChIKey is RTMZOFRXDGBMIZ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H14N2OS/c20-13-14-8-10-16(11-9-14)19(22)21-18(17-7-4-12-23-17)15-5-2-1-3-6-15/h1-12,18H,(H,21,22)/t18-/m0/s1.
What are the key properties of 4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide?
4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide has a molecular weight of 318.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 8853563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).