2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide

C22H18N2OS — CID 43008037

IUPAC2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1
InChIInChI=1S/C22H18N2OS/c1-15-11-16(2)13-18(12-15)24-22(25)19-8-4-6-10-21(19)26-20-9-5-3-7-17(20)14-23/h3-13H,1-2H3,(H,24,25)
InChIKeyVNCHTTAPQBAQBU-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.58
Rot. Bonds4

About 2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide

2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide (PubChem CID 43008037) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide
PubChem CID43008037
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC Name2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1
InChIInChI=1S/C22H18N2OS/c1-15-11-16(2)13-18(12-15)24-22(25)19-8-4-6-10-21(19)26-20-9-5-3-7-17(20)14-23/h3-13H,1-2H3,(H,24,25)
InChIKeyVNCHTTAPQBAQBU-UHFFFAOYSA-N
XLogP5.58
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide
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2-(2-cyanophenyl)sulfanyl-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide
CID 60557057
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2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide
CID 17139487
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(2-cyanophenyl)sulfanylbenzamide
CID 55769470
[2-(3-methylanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate
CID 7832689
N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide
CID 93241968
2-(2-cyanophenyl)sulfanyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 112762500
N-butyl-2-(2-cyanophenyl)sulfanylbenzamide
CID 36711444
3-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55784676

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide?
The IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide (CID 43008037) is 2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide?
The canonical SMILES for 2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide is Cc1cc(C)cc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1.
What is the InChIKey of 2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide?
The InChIKey is VNCHTTAPQBAQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-15-11-16(2)13-18(12-15)24-22(25)19-8-4-6-10-21(19)26-20-9-5-3-7-17(20)14-23/h3-13H,1-2H3,(H,24,25).
What are the key properties of 2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide?
2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide has a molecular weight of 358.47 g/mol, XLogP of 5.58, 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-(3,5-dimethylphenyl)benzamide is sourced from PubChem (CID 43008037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).