4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide

C21H19NO2S — CID 35042620

IUPAC4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide
SMILESCOc1cccc(SCc2ccc(C(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C21H19NO2S/c1-24-19-8-5-9-20(14-19)25-15-16-10-12-17(13-11-16)21(23)22-18-6-3-2-4-7-18/h2-14H,15H2,1H3,(H,22,23)
InChIKeyIKPWUKPKGLMTLI-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.24
Rot. Bonds6

About 4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide

4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide (PubChem CID 35042620) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide
PubChem CID35042620
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC Name4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide
SMILESCOc1cccc(SCc2ccc(C(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C21H19NO2S/c1-24-19-8-5-9-20(14-19)25-15-16-10-12-17(13-11-16)21(23)22-18-6-3-2-4-7-18/h2-14H,15H2,1H3,(H,22,23)
InChIKeyIKPWUKPKGLMTLI-UHFFFAOYSA-N
XLogP5.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 1289534
N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide
CID 112766684
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
4-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide
CID 24578015
N-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-4-methoxybenzamide
CID 19318775
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
CID 28771995
N-[3-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxybenzamide
CID 19318774
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 7480755
2-methoxy-4-[(3-methoxyphenyl)sulfanylmethyl]benzoic acid
CID 106794194

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide?
The IUPAC name of 4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide (CID 35042620) is 4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide?
The canonical SMILES for 4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide is COc1cccc(SCc2ccc(C(=O)Nc3ccccc3)cc2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide?
The InChIKey is IKPWUKPKGLMTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c1-24-19-8-5-9-20(14-19)25-15-16-10-12-17(13-11-16)21(23)22-18-6-3-2-4-7-18/h2-14H,15H2,1H3,(H,22,23).
What are the key properties of 4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide?
4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide has a molecular weight of 349.46 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)sulfanylmethyl]-N-phenylbenzamide is sourced from PubChem (CID 35042620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).