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

C20H17NOS — CID 164683157

IUPACN-(4-methyl-2-phenylsulfanylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)c(Sc2ccccc2)c1
InChIInChI=1S/C20H17NOS/c1-15-12-13-18(21-20(22)16-8-4-2-5-9-16)19(14-15)23-17-10-6-3-7-11-17/h2-14H,1H3,(H,21,22)
InChIKeyDIEPMTMMWXLJKZ-UHFFFAOYSA-N
MW319.43 g/mol
LogP5.40
Rot. Bonds4

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

N-(4-methyl-2-phenylsulfanylphenyl)benzamide (PubChem CID 164683157) has the molecular formula C20H17NOS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(4-methyl-2-phenylsulfanylphenyl)benzamide.

Molecular Properties

Compound NameN-(4-methyl-2-phenylsulfanylphenyl)benzamide
PubChem CID164683157
Molecular FormulaC20H17NOS
Molecular Weight319.43 g/mol
Exact Mass319.10
IUPAC NameN-(4-methyl-2-phenylsulfanylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)c(Sc2ccccc2)c1
InChIInChI=1S/C20H17NOS/c1-15-12-13-18(21-20(22)16-8-4-2-5-9-16)19(14-15)23-17-10-6-3-7-11-17/h2-14H,1H3,(H,21,22)
InChIKeyDIEPMTMMWXLJKZ-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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Related Compounds

N-(7-bromo-9,10-dioxo-4-phenylsulfanylanthracen-1-yl)-4-methylbenzamide
CID 23400792
N-(2-ethyl-4-methylphenyl)benzamide
CID 174323635
4-methyl-2-phenylsulfanylbenzaldehyde
CID 86250344
N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide
CID 50773255
N-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide
CID 41044372
N-(5-methyl-2-prop-1-en-2-ylphenyl)benzamide
CID 154709927
2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide
CID 28571076
N-[2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-4-methylphenyl]benzamide
CID 46987181
4-(methylsulfonylmethyl)-N-(2-phenylsulfanylphenyl)benzamide
CID 51316561
N-[2-[(2-cyanoacetyl)amino]-4-methylphenyl]benzamide
CID 168521332
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
2-chloro-N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]benzamide
CID 50773210

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-phenylsulfanylphenyl)benzamide?
The IUPAC name of N-(4-methyl-2-phenylsulfanylphenyl)benzamide (CID 164683157) is N-(4-methyl-2-phenylsulfanylphenyl)benzamide.
What is the SMILES notation for N-(4-methyl-2-phenylsulfanylphenyl)benzamide?
The canonical SMILES for N-(4-methyl-2-phenylsulfanylphenyl)benzamide is Cc1ccc(NC(=O)c2ccccc2)c(Sc2ccccc2)c1.
What is the InChIKey of N-(4-methyl-2-phenylsulfanylphenyl)benzamide?
The InChIKey is DIEPMTMMWXLJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NOS/c1-15-12-13-18(21-20(22)16-8-4-2-5-9-16)19(14-15)23-17-10-6-3-7-11-17/h2-14H,1H3,(H,21,22).
What are the key properties of N-(4-methyl-2-phenylsulfanylphenyl)benzamide?
N-(4-methyl-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 N-(4-methyl-2-phenylsulfanylphenyl)benzamide is sourced from PubChem (CID 164683157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).