4-methyl-N-(3-phenacylsulfanylphenyl)benzamide

C22H19NO2S — CID 19299775

IUPAC4-methyl-N-(3-phenacylsulfanylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2cccc(SCC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C22H19NO2S/c1-16-10-12-18(13-11-16)22(25)23-19-8-5-9-20(14-19)26-15-21(24)17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,23,25)
InChIKeyYKWJOCSDQZVONE-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.22
Rot. Bonds6

About 4-methyl-N-(3-phenacylsulfanylphenyl)benzamide

4-methyl-N-(3-phenacylsulfanylphenyl)benzamide (PubChem CID 19299775) has the molecular formula C22H19NO2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-methyl-N-(3-phenacylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(3-phenacylsulfanylphenyl)benzamide
PubChem CID19299775
Molecular FormulaC22H19NO2S
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC Name4-methyl-N-(3-phenacylsulfanylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2cccc(SCC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C22H19NO2S/c1-16-10-12-18(13-11-16)22(25)23-19-8-5-9-20(14-19)26-15-21(24)17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,23,25)
InChIKeyYKWJOCSDQZVONE-UHFFFAOYSA-N
XLogP5.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methylbenzamide
CID 19318409
N-(3-phenacylsulfanylphenyl)acetamide
CID 19299397
N-[3-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 18907057
N-[(Z)-1-(2-methoxyphenyl)-3-[3-[2-(4-methylphenyl)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19301349
N-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 18907054
N-(2-methyl-4-pyridinyl)-3-phenacylsulfanylbenzamide
CID 84552750
4-fluoro-N-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19299599
N-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 19299396
N-[(Z)-3-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylanilino]-1-(3-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19301611
4-methyl-N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide
CID 18900524
N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 19299425
N-[3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 19299592

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-phenacylsulfanylphenyl)benzamide?
The IUPAC name of 4-methyl-N-(3-phenacylsulfanylphenyl)benzamide (CID 19299775) is 4-methyl-N-(3-phenacylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-methyl-N-(3-phenacylsulfanylphenyl)benzamide?
The canonical SMILES for 4-methyl-N-(3-phenacylsulfanylphenyl)benzamide is Cc1ccc(C(=O)Nc2cccc(SCC(=O)c3ccccc3)c2)cc1.
What is the InChIKey of 4-methyl-N-(3-phenacylsulfanylphenyl)benzamide?
The InChIKey is YKWJOCSDQZVONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2S/c1-16-10-12-18(13-11-16)22(25)23-19-8-5-9-20(14-19)26-15-21(24)17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of 4-methyl-N-(3-phenacylsulfanylphenyl)benzamide?
4-methyl-N-(3-phenacylsulfanylphenyl)benzamide has a molecular weight of 361.47 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-phenacylsulfanylphenyl)benzamide is sourced from PubChem (CID 19299775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).