N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide

C14H21NO2S — CID 43876418

IUPACN-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCCCCNC(=O)C(C)Sc1ccc(OC)cc1
InChIInChI=1S/C14H21NO2S/c1-4-5-10-15-14(16)11(2)18-13-8-6-12(17-3)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyJTYANQMCWBSLIZ-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.09
Rot. Bonds7

About N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide

N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 43876418) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID43876418
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCCCCNC(=O)C(C)Sc1ccc(OC)cc1
InChIInChI=1S/C14H21NO2S/c1-4-5-10-15-14(16)11(2)18-13-8-6-12(17-3)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyJTYANQMCWBSLIZ-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.09
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

(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
CID 38016340
(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 N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide (CID 43876418) is N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide is CCCCNC(=O)C(C)Sc1ccc(OC)cc1.
What is the InChIKey of N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is JTYANQMCWBSLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-4-5-10-15-14(16)11(2)18-13-8-6-12(17-3)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,15,16).
What are the key properties of N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide?
N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 267.39 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 43876418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).