3-(4-methoxyphenyl)sulfanyl-N-(5-methyl-2-phenylphenyl)propanamide

C23H23NO2S — CID 166336071

IUPAC3-(4-methoxyphenyl)sulfanyl-N-(5-methyl-2-phenylphenyl)propanamide
SMILESCOc1ccc(SCCC(=O)Nc2cc(C)ccc2-c2ccccc2)cc1
InChIInChI=1S/C23H23NO2S/c1-17-8-13-21(18-6-4-3-5-7-18)22(16-17)24-23(25)14-15-27-20-11-9-19(26-2)10-12-20/h3-13,16H,14-15H2,1-2H3,(H,24,25)
InChIKeyMMKLDQJRYNKKDW-UHFFFAOYSA-N
MW377.51 g/mol
LogP5.79
Rot. Bonds7

About 3-(4-methoxyphenyl)sulfanyl-N-(5-methyl-2-phenylphenyl)propanamide

3-(4-methoxyphenyl)sulfanyl-N-(5-methyl-2-phenylphenyl)propanamide (PubChem CID 166336071) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfanyl-N-(5-methyl-2-phenylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfanyl-N-(5-methyl-2-phenylphenyl)propanamide
PubChem CID166336071
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC Name3-(4-methoxyphenyl)sulfanyl-N-(5-methyl-2-phenylphenyl)propanamide
SMILESCOc1ccc(SCCC(=O)Nc2cc(C)ccc2-c2ccccc2)cc1
InChIInChI=1S/C23H23NO2S/c1-17-8-13-21(18-6-4-3-5-7-18)22(16-17)24-23(25)14-15-27-20-11-9-19(26-2)10-12-20/h3-13,16H,14-15H2,1-2H3,(H,24,25)
InChIKeyMMKLDQJRYNKKDW-UHFFFAOYSA-N
XLogP5.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-5-phenylthiophene-2-carboxylate
CID 41324904
N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23973490
2-[4-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-3-methylphenoxy]acetic acid
CID 119231456
N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41486489
N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325047
N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide
CID 2975810
N-(4-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 43035639
N-(2-benzoyl-4-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8700658
3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide
CID 34317979
N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide
CID 9415706
N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 956628
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfanyl-N-(5-methyl-2-phenylphenyl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)sulfanyl-N-(5-methyl-2-phenylphenyl)propanamide (CID 166336071) is 3-(4-methoxyphenyl)sulfanyl-N-(5-methyl-2-phenylphenyl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfanyl-N-(5-methyl-2-phenylphenyl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)sulfanyl-N-(5-methyl-2-phenylphenyl)propanamide is COc1ccc(SCCC(=O)Nc2cc(C)ccc2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfanyl-N-(5-methyl-2-phenylphenyl)propanamide?
The InChIKey is MMKLDQJRYNKKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-17-8-13-21(18-6-4-3-5-7-18)22(16-17)24-23(25)14-15-27-20-11-9-19(26-2)10-12-20/h3-13,16H,14-15H2,1-2H3,(H,24,25).
What are the key properties of 3-(4-methoxyphenyl)sulfanyl-N-(5-methyl-2-phenylphenyl)propanamide?
3-(4-methoxyphenyl)sulfanyl-N-(5-methyl-2-phenylphenyl)propanamide has a molecular weight of 377.51 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfanyl-N-(5-methyl-2-phenylphenyl)propanamide is sourced from PubChem (CID 166336071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).