(3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide

C13H18N2O5S — CID 95133505

IUPAC(3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide
SMILESCOc1ccc([C@H](CC(=O)NS(C)(=O)=O)NC(C)=O)cc1
InChIInChI=1S/C13H18N2O5S/c1-9(16)14-12(8-13(17)15-21(3,18)19)10-4-6-11(20-2)7-5-10/h4-7,12H,8H2,1-3H3,(H,14,16)(H,15,17)/t12-/m0/s1
InChIKeyLBILOJRFGQRDFX-LBPRGKRZSA-N
MW314.36 g/mol
LogP0.34
Rot. Bonds6

About (3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide

(3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide (PubChem CID 95133505) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is (3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide
PubChem CID95133505
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name(3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide
SMILESCOc1ccc([C@H](CC(=O)NS(C)(=O)=O)NC(C)=O)cc1
InChIInChI=1S/C13H18N2O5S/c1-9(16)14-12(8-13(17)15-21(3,18)19)10-4-6-11(20-2)7-5-10/h4-7,12H,8H2,1-3H3,(H,14,16)(H,15,17)/t12-/m0/s1
InChIKeyLBILOJRFGQRDFX-LBPRGKRZSA-N
XLogP0.34
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide 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

2-acetamido-2-(4-methoxyphenyl)ethanesulfonic acid
CID 11380284
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 32686708
(3S)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100784179
3-(methanesulfonamido)-3-(4-methoxyphenyl)propanoic acid
CID 112509655
3-acetamido-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 78805825
(3S)-3-acetamido-N-(2,6-diethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 40812809
(3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide
CID 51622723
3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide
CID 134021990
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 30685077
3-acetamido-N-(2-ethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17436555

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide?
The IUPAC name of (3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide (CID 95133505) is (3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide.
What is the SMILES notation for (3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide?
The canonical SMILES for (3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide is COc1ccc([C@H](CC(=O)NS(C)(=O)=O)NC(C)=O)cc1.
What is the InChIKey of (3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide?
The InChIKey is LBILOJRFGQRDFX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-9(16)14-12(8-13(17)15-21(3,18)19)10-4-6-11(20-2)7-5-10/h4-7,12H,8H2,1-3H3,(H,14,16)(H,15,17)/t12-/m0/s1.
What are the key properties of (3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide?
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide has a molecular weight of 314.36 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide is sourced from PubChem (CID 95133505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).