2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethoxyphenyl)acetamide

C25H28N2O6S — CID 1120614

IUPAC2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H28N2O6S/c1-5-33-22-9-7-6-8-21(22)26-25(28)17-27(19-12-15-23(31-3)24(16-19)32-4)34(29,30)20-13-10-18(2)11-14-20/h6-16H,5,17H2,1-4H3,(H,26,28)
InChIKeyQBQFRTHCOGUHAI-UHFFFAOYSA-N
MW484.57 g/mol
LogP4.24
Rot. Bonds10

About 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethoxyphenyl)acetamide

2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethoxyphenyl)acetamide (PubChem CID 1120614) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethoxyphenyl)acetamide
PubChem CID1120614
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC Name2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H28N2O6S/c1-5-33-22-9-7-6-8-21(22)26-25(28)17-27(19-12-15-23(31-3)24(16-19)32-4)34(29,30)20-13-10-18(2)11-14-20/h6-16H,5,17H2,1-4H3,(H,26,28)
InChIKeyQBQFRTHCOGUHAI-UHFFFAOYSA-N
XLogP4.24
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(azepan-1-ylsulfonyl)anilino]-N-(3,4-diethoxyphenyl)acetamide
CID 4784017
2-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 5078319
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 5128939
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[methanesulfonyl-(2-methoxy-phenyl)-amino]-acetamide
CID 655700
N~1~-(3-methoxyphenyl)-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(2-phenylethyl)glycinamide
CID 1359892
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 2279484
2-[N-(4-Methoxyphenyl)3,4-dimethoxybenzenesulfonamido]-N-(1-phenylethyl)acetamide
CID 2860019
2-(Methyl-{3-[methyl-(4-sulfamoyl-benzyl)-amino]-propyl}-amino)-N-(4-phenoxy-phenyl)-acetamide
CID 44567644
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-N-[(1,1-dimethyl-propylcarbamoyl)-methyl]-2-(toluene-4-sulfonylamino)-acetamide
CID 645581
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[(2-ethoxy-phenyl)-methanesulfonyl-amino]-acetamide
CID 654373
N-Cyclopentylcarbamoylmethyl-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2-(toluene-4-sulfonylamino)-acetamide
CID 656130
N-(3-methoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 882050

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethoxyphenyl)acetamide (CID 1120614) is 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethoxyphenyl)acetamide?
The InChIKey is QBQFRTHCOGUHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-5-33-22-9-7-6-8-21(22)26-25(28)17-27(19-12-15-23(31-3)24(16-19)32-4)34(29,30)20-13-10-18(2)11-14-20/h6-16H,5,17H2,1-4H3,(H,26,28).
What are the key properties of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethoxyphenyl)acetamide?
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethoxyphenyl)acetamide has a molecular weight of 484.57 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 1120614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).