2-(2-cyanophenyl)sulfanyl-N-[1-(2-methylphenyl)ethyl]benzamide

C23H20N2OS — CID 112762500

IUPAC2-(2-cyanophenyl)sulfanyl-N-[1-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1C(C)NC(=O)c1ccccc1Sc1ccccc1C#N
InChIInChI=1S/C23H20N2OS/c1-16-9-3-5-11-19(16)17(2)25-23(26)20-12-6-8-14-22(20)27-21-13-7-4-10-18(21)15-24/h3-14,17H,1-2H3,(H,25,26)
InChIKeyABKZXVYHTPPGLI-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.51
Rot. Bonds5

About 2-(2-cyanophenyl)sulfanyl-N-[1-(2-methylphenyl)ethyl]benzamide

2-(2-cyanophenyl)sulfanyl-N-[1-(2-methylphenyl)ethyl]benzamide (PubChem CID 112762500) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-(2-cyanophenyl)sulfanyl-N-[1-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)sulfanyl-N-[1-(2-methylphenyl)ethyl]benzamide
PubChem CID112762500
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC Name2-(2-cyanophenyl)sulfanyl-N-[1-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1C(C)NC(=O)c1ccccc1Sc1ccccc1C#N
InChIInChI=1S/C23H20N2OS/c1-16-9-3-5-11-19(16)17(2)25-23(26)20-12-6-8-14-22(20)27-21-13-7-4-10-18(21)15-24/h3-14,17H,1-2H3,(H,25,26)
InChIKeyABKZXVYHTPPGLI-UHFFFAOYSA-N
XLogP5.51
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide
CID 93241968
2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide
CID 43008037
2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide
CID 1471282
2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide
CID 17139487
N-butyl-2-(2-cyanophenyl)sulfanylbenzamide
CID 36711444
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
2-(2-cyanophenyl)sulfanyl-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]benzamide
CID 60575687
2-(2-cyanophenyl)sulfanyl-N-(4-methoxyphenyl)benzamide
CID 3670324
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
2-(2-cyanophenyl)sulfanyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]benzamide
CID 2195049
2-(2-cyanophenyl)sulfanyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
CID 60576162
2-(2-cyanophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 33091613

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-[1-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-[1-(2-methylphenyl)ethyl]benzamide (CID 112762500) is 2-(2-cyanophenyl)sulfanyl-N-[1-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)sulfanyl-N-[1-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)sulfanyl-N-[1-(2-methylphenyl)ethyl]benzamide is Cc1ccccc1C(C)NC(=O)c1ccccc1Sc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenyl)sulfanyl-N-[1-(2-methylphenyl)ethyl]benzamide?
The InChIKey is ABKZXVYHTPPGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-16-9-3-5-11-19(16)17(2)25-23(26)20-12-6-8-14-22(20)27-21-13-7-4-10-18(21)15-24/h3-14,17H,1-2H3,(H,25,26).
What are the key properties of 2-(2-cyanophenyl)sulfanyl-N-[1-(2-methylphenyl)ethyl]benzamide?
2-(2-cyanophenyl)sulfanyl-N-[1-(2-methylphenyl)ethyl]benzamide has a molecular weight of 372.49 g/mol, XLogP of 5.51, 5 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-[1-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 112762500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).