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

C20H16ClNOS — CID 3060097

IUPAC4-chloro-N-methyl-N-(4-phenylsulfanylphenyl)benzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C20H16ClNOS/c1-22(20(23)15-7-9-16(21)10-8-15)17-11-13-19(14-12-17)24-18-5-3-2-4-6-18/h2-14H,1H3
InChIKeyBLPXCMVMGXLNJR-UHFFFAOYSA-N
MW353.87 g/mol
LogP5.77
Rot. Bonds4

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

4-chloro-N-methyl-N-(4-phenylsulfanylphenyl)benzamide (PubChem CID 3060097) has the molecular formula C20H16ClNOS and a molecular weight of 353.87 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(4-phenylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(4-phenylsulfanylphenyl)benzamide
PubChem CID3060097
Molecular FormulaC20H16ClNOS
Molecular Weight353.87 g/mol
Exact Mass353.06
IUPAC Name4-chloro-N-methyl-N-(4-phenylsulfanylphenyl)benzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C20H16ClNOS/c1-22(20(23)15-7-9-16(21)10-8-15)17-11-13-19(14-12-17)24-18-5-3-2-4-6-18/h2-14H,1H3
InChIKeyBLPXCMVMGXLNJR-UHFFFAOYSA-N
XLogP5.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.87
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-chloro-N-[3-cyano-4-(phenylthio)phenyl]benzamide
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1-(3-Chlorophenyl)-4-[2-(methylthio)benzoyl]piperazine
CID 2232058
N-{4-[4-(4-chlorobenzoyl)-1-piperazinyl]phenyl}-2-[(4-chlorophenyl)thio]acetamide
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2-(4-chlorophenyl)-N-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)acetamide
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N-(1-benzylpiperidin-4-yl)-4-chloro-N-phenylbenzamide
CID 44319016
(E)-1-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]prop-2-en-1-one
CID 52949361
N-(3-chlorophenyl)-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide
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5-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)thiophene-2-carboxamide
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4-chloro-N-[4-[3-(methylthio)anilino]-4-oxobutyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(4-phenylsulfanylphenyl)benzamide?
The IUPAC name of 4-chloro-N-methyl-N-(4-phenylsulfanylphenyl)benzamide (CID 3060097) is 4-chloro-N-methyl-N-(4-phenylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-methyl-N-(4-phenylsulfanylphenyl)benzamide?
The canonical SMILES for 4-chloro-N-methyl-N-(4-phenylsulfanylphenyl)benzamide is CN(C(=O)c1ccc(Cl)cc1)c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of 4-chloro-N-methyl-N-(4-phenylsulfanylphenyl)benzamide?
The InChIKey is BLPXCMVMGXLNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNOS/c1-22(20(23)15-7-9-16(21)10-8-15)17-11-13-19(14-12-17)24-18-5-3-2-4-6-18/h2-14H,1H3.
What are the key properties of 4-chloro-N-methyl-N-(4-phenylsulfanylphenyl)benzamide?
4-chloro-N-methyl-N-(4-phenylsulfanylphenyl)benzamide has a molecular weight of 353.87 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(4-phenylsulfanylphenyl)benzamide is sourced from PubChem (CID 3060097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).