2-[benzenesulfonyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide

C17H20N2O5S — CID 2192340

IUPAC2-[benzenesulfonyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C17H20N2O5S/c1-19(25(21,22)14-7-5-4-6-8-14)12-17(20)18-13-9-10-15(23-2)16(11-13)24-3/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyWXMVKTGJKQDRTF-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.96
Rot. Bonds7

About 2-[benzenesulfonyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide

2-[benzenesulfonyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 2192340) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID2192340
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C17H20N2O5S/c1-19(25(21,22)14-7-5-4-6-8-14)12-17(20)18-13-9-10-15(23-2)16(11-13)24-3/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyWXMVKTGJKQDRTF-UHFFFAOYSA-N
XLogP1.96
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[benzenesulfonyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide 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

N-(3-((3,4-dimethoxyphenyl)amino)-3-oxopropyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 17584893
N-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129274553
1-(1,3-Benzodioxol-5-yl)-3-[4-(ethylsulfamoyl)phenyl]urea
CID 2206548
2-[3-(azepan-1-ylsulfonyl)anilino]-N-(3,4-diethoxyphenyl)acetamide
CID 4784017
2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 4883942
2-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 5078319
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[methanesulfonyl-(2-methoxy-phenyl)-amino]-acetamide
CID 655700
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-oxo-1-pyrrolidinyl)benzenesulfonamide
CID 1264006
N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1359892
N-(2H-1,3-Benzodioxol-5-YL)-2-[N-(4-ethoxyphenyl)benzenesulfonamido]acetamide
CID 2279484
2-[N-(4-Methoxyphenyl)3,4-dimethoxybenzenesulfonamido]-N-(1-phenylethyl)acetamide
CID 2860019
2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(tetrahydro-2-furanylmethyl)acetamide
CID 2948005

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide (CID 2192340) is 2-[benzenesulfonyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is WXMVKTGJKQDRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-19(25(21,22)14-7-5-4-6-8-14)12-17(20)18-13-9-10-15(23-2)16(11-13)24-3/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
2-[benzenesulfonyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 364.42 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 2192340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).