2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide

C20H14N2OS — CID 1471282

IUPAC2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide
SMILESN#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C20H14N2OS/c21-14-15-8-4-6-12-18(15)24-19-13-7-5-11-17(19)20(23)22-16-9-2-1-3-10-16/h1-13H,(H,22,23)
InChIKeyIRDCYHWGZWHFDM-UHFFFAOYSA-N
MW330.41 g/mol
LogP4.96
Rot. Bonds4

About 2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide

2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide (PubChem CID 1471282) has the molecular formula C20H14N2OS and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide
PubChem CID1471282
Molecular FormulaC20H14N2OS
Molecular Weight330.41 g/mol
Exact Mass330.08
IUPAC Name2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide
SMILESN#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C20H14N2OS/c21-14-15-8-4-6-12-18(15)24-19-13-7-5-11-17(19)20(23)22-16-9-2-1-3-10-16/h1-13H,(H,22,23)
InChIKeyIRDCYHWGZWHFDM-UHFFFAOYSA-N
XLogP4.96
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide
CID 34111218
2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide
CID 3670324
2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide
CID 43008037
N-(1-benzylpyrazol-4-yl)-2-(2-cyanophenyl)sulfanylbenzamide
CID 60557155
2-(2-cyanophenyl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55382568
2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide
CID 17139487
2-(2-cyanophenyl)sulfanyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide
CID 60557057
N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide
CID 93241968
2-(2-cyanophenyl)sulfanyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55714925
N-butyl-2-(2-cyanophenyl)sulfanylbenzamide
CID 36711444
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2-cyanophenyl)sulfanylbenzamide
CID 55769470
N-[4-(4-chloroanilino)-4-oxobutyl]-2-(2-cyanophenyl)sulfanylbenzamide
CID 55982884

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide?
The IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide (CID 1471282) is 2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide.
What is the SMILES notation for 2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide?
The canonical SMILES for 2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide is N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide?
The InChIKey is IRDCYHWGZWHFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2OS/c21-14-15-8-4-6-12-18(15)24-19-13-7-5-11-17(19)20(23)22-16-9-2-1-3-10-16/h1-13H,(H,22,23).
What are the key properties of 2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide?
2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide has a molecular weight of 330.41 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide is sourced from PubChem (CID 1471282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).