2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide

C15H23NO2S — CID 132760074

IUPAC2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
SMILESCOc1ccc(SC(C)C(=O)NCCC(C)C)cc1
InChIInChI=1S/C15H23NO2S/c1-11(2)9-10-16-15(17)12(3)19-14-7-5-13(18-4)6-8-14/h5-8,11-12H,9-10H2,1-4H3,(H,16,17)
InChIKeyMXOWLJDOWGEUTB-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.34
Rot. Bonds7

About 2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide

2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide (PubChem CID 132760074) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
PubChem CID132760074
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
SMILESCOc1ccc(SC(C)C(=O)NCCC(C)C)cc1
InChIInChI=1S/C15H23NO2S/c1-11(2)9-10-16-15(17)12(3)19-14-7-5-13(18-4)6-8-14/h5-8,11-12H,9-10H2,1-4H3,(H,16,17)
InChIKeyMXOWLJDOWGEUTB-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119382103
N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
CID 38016340
N-(3-methylbutyl)-2-phenylsulfanylpropanamide
CID 4791698
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 951517
(2R)-2-(4-methoxyphenyl)sulfanyl-N-methylpropanamide
CID 30378344
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51546951
ethyl 3-[2-(4-methoxyphenyl)sulfanylpropanoylamino]propanoate
CID 51093901
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 30400150
ethyl 3-[[(2S)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]propanoate
CID 94809358
(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 28632770
N-(2-amino-2-methylpropyl)-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119625878

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide (CID 132760074) is 2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide is COc1ccc(SC(C)C(=O)NCCC(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide?
The InChIKey is MXOWLJDOWGEUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11(2)9-10-16-15(17)12(3)19-14-7-5-13(18-4)6-8-14/h5-8,11-12H,9-10H2,1-4H3,(H,16,17).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide?
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide has a molecular weight of 281.42 g/mol, XLogP of 3.34, 7 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-(3-methylbutyl)propanamide is sourced from PubChem (CID 132760074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).