4-methyl-N-(2-phenylsulfanylphenyl)benzamide

C20H17NOS — CID 970684

IUPAC4-methyl-N-(2-phenylsulfanylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1
InChIInChI=1S/C20H17NOS/c1-15-11-13-16(14-12-15)20(22)21-18-9-5-6-10-19(18)23-17-7-3-2-4-8-17/h2-14H,1H3,(H,21,22)
InChIKeyITWOWZRZARASGN-UHFFFAOYSA-N
MW319.43 g/mol
LogP5.40
Rot. Bonds4

About 4-methyl-N-(2-phenylsulfanylphenyl)benzamide

4-methyl-N-(2-phenylsulfanylphenyl)benzamide (PubChem CID 970684) has the molecular formula C20H17NOS and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-methyl-N-(2-phenylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-phenylsulfanylphenyl)benzamide
PubChem CID970684
Molecular FormulaC20H17NOS
Molecular Weight319.43 g/mol
Exact Mass319.10
IUPAC Name4-methyl-N-(2-phenylsulfanylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1
InChIInChI=1S/C20H17NOS/c1-15-11-13-16(14-12-15)20(22)21-18-9-5-6-10-19(18)23-17-7-3-2-4-8-17/h2-14H,1H3,(H,21,22)
InChIKeyITWOWZRZARASGN-UHFFFAOYSA-N
XLogP5.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.43
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenylsulfanylphenyl)benzamide?
The IUPAC name of 4-methyl-N-(2-phenylsulfanylphenyl)benzamide (CID 970684) is 4-methyl-N-(2-phenylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-methyl-N-(2-phenylsulfanylphenyl)benzamide?
The canonical SMILES for 4-methyl-N-(2-phenylsulfanylphenyl)benzamide is Cc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(2-phenylsulfanylphenyl)benzamide?
The InChIKey is ITWOWZRZARASGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NOS/c1-15-11-13-16(14-12-15)20(22)21-18-9-5-6-10-19(18)23-17-7-3-2-4-8-17/h2-14H,1H3,(H,21,22).
What are the key properties of 4-methyl-N-(2-phenylsulfanylphenyl)benzamide?
4-methyl-N-(2-phenylsulfanylphenyl)benzamide has a molecular weight of 319.43 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenylsulfanylphenyl)benzamide is sourced from PubChem (CID 970684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).