(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide

C15H23NO2S — CID 38016340

IUPAC(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
SMILESCCCCCNC(=O)[C@H](C)Sc1ccc(OC)cc1
InChIInChI=1S/C15H23NO2S/c1-4-5-6-11-16-15(17)12(2)19-14-9-7-13(18-3)8-10-14/h7-10,12H,4-6,11H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyKYEASBRQQIRZDG-LBPRGKRZSA-N
MW281.42 g/mol
LogP3.48
Rot. Bonds8

About (2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide

(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide (PubChem CID 38016340) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
PubChem CID38016340
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
SMILESCCCCCNC(=O)[C@H](C)Sc1ccc(OC)cc1
InChIInChI=1S/C15H23NO2S/c1-4-5-6-11-16-15(17)12(2)19-14-9-7-13(18-3)8-10-14/h7-10,12H,4-6,11H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyKYEASBRQQIRZDG-LBPRGKRZSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 28632770
N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119382103
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074
ethyl 3-[2-(4-methoxyphenyl)sulfanylpropanoylamino]propanoate
CID 51093901
ethyl 3-[[(2S)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]propanoate
CID 94809358
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 38007237
(2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 93488352
(2R)-N-butylsulfonyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 94190179
N-butylsulfonyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 47052138
2-(4-methoxyphenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)propanamide
CID 132760895
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 951517

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide?
The IUPAC name of (2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide (CID 38016340) is (2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide is CCCCCNC(=O)[C@H](C)Sc1ccc(OC)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide?
The InChIKey is KYEASBRQQIRZDG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-4-5-6-11-16-15(17)12(2)19-14-9-7-13(18-3)8-10-14/h7-10,12H,4-6,11H2,1-3H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide?
(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide has a molecular weight of 281.42 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide is sourced from PubChem (CID 38016340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).