(2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide

C13H19NO2S — CID 97234739

IUPAC(2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide
SMILESCOc1ccccc1NC(=O)[C@@H](SC)C(C)C
InChIInChI=1S/C13H19NO2S/c1-9(2)12(17-4)13(15)14-10-7-5-6-8-11(10)16-3/h5-9,12H,1-4H3,(H,14,15)/t12-/m0/s1
InChIKeyCLIXBMRJCNKUOM-LBPRGKRZSA-N
MW253.37 g/mol
LogP3.02
Rot. Bonds5

About (2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide

(2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide (PubChem CID 97234739) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is (2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide
PubChem CID97234739
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide
SMILESCOc1ccccc1NC(=O)[C@@H](SC)C(C)C
InChIInChI=1S/C13H19NO2S/c1-9(2)12(17-4)13(15)14-10-7-5-6-8-11(10)16-3/h5-9,12H,1-4H3,(H,14,15)/t12-/m0/s1
InChIKeyCLIXBMRJCNKUOM-LBPRGKRZSA-N
XLogP3.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
(2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide
CID 40794639
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
2-(carbamoylamino)-N-(2-methoxyphenyl)propanamide
CID 47097666
2-hydroxy-3-(2-methoxyanilino)-N-(2-methoxyphenyl)butanamide
CID 134349346
2-(2-aminoethyl)-N-(2-methoxyphenyl)-3-methylbutanamide
CID 112516204
(2R)-2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 925101
2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 82179913
(2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide
CID 8714154
propan-2-yl N-(2-methoxyphenyl)carbamate
CID 5047637
N-(2-methoxyphenyl)-2-propylpentanamide
CID 2995533

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide?
The IUPAC name of (2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide (CID 97234739) is (2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide?
The canonical SMILES for (2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide is COc1ccccc1NC(=O)[C@@H](SC)C(C)C.
What is the InChIKey of (2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide?
The InChIKey is CLIXBMRJCNKUOM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9(2)12(17-4)13(15)14-10-7-5-6-8-11(10)16-3/h5-9,12H,1-4H3,(H,14,15)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide?
(2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide has a molecular weight of 253.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide is sourced from PubChem (CID 97234739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).