2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide

C20H25NO2S — CID 60518630

IUPAC2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide
SMILESCCCC(NC(=O)C(C)Sc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C20H25NO2S/c1-4-8-19(16-9-6-5-7-10-16)21-20(22)15(2)24-18-13-11-17(23-3)12-14-18/h5-7,9-15,19H,4,8H2,1-3H3,(H,21,22)
InChIKeyCYLXEUXTIUXQNK-UHFFFAOYSA-N
MW343.49 g/mol
LogP4.83
Rot. Bonds8

About 2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide

2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide (PubChem CID 60518630) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide
PubChem CID60518630
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide
SMILESCCCC(NC(=O)C(C)Sc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C20H25NO2S/c1-4-8-19(16-9-6-5-7-10-16)21-20(22)15(2)24-18-13-11-17(23-3)12-14-18/h5-7,9-15,19H,4,8H2,1-3H3,(H,21,22)
InChIKeyCYLXEUXTIUXQNK-UHFFFAOYSA-N
XLogP4.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide
CID 28572284
(2S)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-phenylsulfanylpropanamide
CID 94027318
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 94019397
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94013079
N-[1-(3-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 60506394
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
CID 51546952
(2S)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 94012975
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 60506189
2-(3,4-dimethoxyphenyl)sulfanyl-N-(1-phenylpropyl)propanamide
CID 43907587
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 94019240
2-(4-chlorophenyl)sulfanyl-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 46771833
(2S)-2-[2-(4-methoxyphenyl)sulfanylpropanoylamino]propanoic acid
CID 119238130

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide (CID 60518630) is 2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide is CCCC(NC(=O)C(C)Sc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide?
The InChIKey is CYLXEUXTIUXQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-4-8-19(16-9-6-5-7-10-16)21-20(22)15(2)24-18-13-11-17(23-3)12-14-18/h5-7,9-15,19H,4,8H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide?
2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide has a molecular weight of 343.49 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide is sourced from PubChem (CID 60518630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).