N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide

C23H23NO2S — CID 41486489

IUPACN-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SCCC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO2S/c1-26-20-12-14-21(15-13-20)27-17-16-22(25)24-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,23H,16-17H2,1H3,(H,24,25)
InChIKeyHZSLQJHVIQKRCR-UHFFFAOYSA-N
MW377.51 g/mol
LogP5.08
Rot. Bonds8

About N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide

N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 41486489) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID41486489
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC NameN-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SCCC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO2S/c1-26-20-12-14-21(15-13-20)27-17-16-22(25)24-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,23H,16-17H2,1H3,(H,24,25)
InChIKeyHZSLQJHVIQKRCR-UHFFFAOYSA-N
XLogP5.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide
CID 34317979
3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218767
N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide
CID 16549377
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylsulfanylpropanamide
CID 92675238
N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325047
2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8565521
3-(4-methoxyphenyl)sulfanyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]propanamide
CID 55729504
4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide
CID 30390615
N-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4117512
(E)-2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]hex-4-enoic acid
CID 120692650
3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide
CID 55536116

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide (CID 41486489) is N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(SCCC(=O)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is HZSLQJHVIQKRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-26-20-12-14-21(15-13-20)27-17-16-22(25)24-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,23H,16-17H2,1H3,(H,24,25).
What are the key properties of N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide?
N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 377.51 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 41486489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).