2-(2-cyanophenyl)sulfanyl-N-methylbenzamide

C15H12N2OS — CID 3767281

IUPAC2-(2-cyanophenyl)sulfanyl-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Sc1ccccc1C#N
InChIInChI=1S/C15H12N2OS/c1-17-15(18)12-7-3-5-9-14(12)19-13-8-4-2-6-11(13)10-16/h2-9H,1H3,(H,17,18)
InChIKeyCPIDUGMDWOKSSY-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.07
Rot. Bonds3

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

2-(2-cyanophenyl)sulfanyl-N-methylbenzamide (PubChem CID 3767281) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(2-cyanophenyl)sulfanyl-N-methylbenzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)sulfanyl-N-methylbenzamide
PubChem CID3767281
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name2-(2-cyanophenyl)sulfanyl-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Sc1ccccc1C#N
InChIInChI=1S/C15H12N2OS/c1-17-15(18)12-7-3-5-9-14(12)19-13-8-4-2-6-11(13)10-16/h2-9H,1H3,(H,17,18)
InChIKeyCPIDUGMDWOKSSY-UHFFFAOYSA-N
XLogP3.07
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-methylbenzamide?
The IUPAC name of 2-(2-cyanophenyl)sulfanyl-N-methylbenzamide (CID 3767281) is 2-(2-cyanophenyl)sulfanyl-N-methylbenzamide.
What is the SMILES notation for 2-(2-cyanophenyl)sulfanyl-N-methylbenzamide?
The canonical SMILES for 2-(2-cyanophenyl)sulfanyl-N-methylbenzamide is CNC(=O)c1ccccc1Sc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenyl)sulfanyl-N-methylbenzamide?
The InChIKey is CPIDUGMDWOKSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-17-15(18)12-7-3-5-9-14(12)19-13-8-4-2-6-11(13)10-16/h2-9H,1H3,(H,17,18).
What are the key properties of 2-(2-cyanophenyl)sulfanyl-N-methylbenzamide?
2-(2-cyanophenyl)sulfanyl-N-methylbenzamide has a molecular weight of 268.34 g/mol, XLogP of 3.07, 3 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-methylbenzamide is sourced from PubChem (CID 3767281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).