2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(4-methoxyphenyl)acetamide

C24H26N2O7S — CID 1123807

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C24H26N2O7S/c1-30-19-9-5-17(6-10-19)25-24(27)16-26(18-7-11-20(31-2)12-8-18)34(28,29)21-13-14-22(32-3)23(15-21)33-4/h5-15H,16H2,1-4H3,(H,25,27)
InChIKeyALQMEBPIJXBLHG-UHFFFAOYSA-N
MW486.55 g/mol
LogP3.56
Rot. Bonds10

About 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(4-methoxyphenyl)acetamide

2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(4-methoxyphenyl)acetamide (PubChem CID 1123807) has the molecular formula C24H26N2O7S and a molecular weight of 486.55 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(4-methoxyphenyl)acetamide
PubChem CID1123807
Molecular FormulaC24H26N2O7S
Molecular Weight486.55 g/mol
Exact Mass486.15
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C24H26N2O7S/c1-30-19-9-5-17(6-10-19)25-24(27)16-26(18-7-11-20(31-2)12-8-18)34(28,29)21-13-14-22(32-3)23(15-21)33-4/h5-15H,16H2,1-4H3,(H,25,27)
InChIKeyALQMEBPIJXBLHG-UHFFFAOYSA-N
XLogP3.56
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-Amino-phenyl)-3-[4-(3,4-dimethoxy-benzenesulfonylamino)-phenyl]-acrylamide
CID 10226045
2-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 5078319
N-[(3,4-dimethoxyphenyl)sulfonyl]-N-(4-methoxyphenyl)glycine
CID 1123806
N-(3,4-Dimethylphenyl)-2-[N-(2-phenylethyl)3,4-dimethoxybenzenesulfonamido]acetamide
CID 1208429
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
N-(2,5-Dimethylphenyl)-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide
CID 2878889
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2948005
4-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl]-3,4-dihydroquinoxalin-2(1H)-one
CID 5301682
N-(4-Ethoxyphenyl)-3-[4-(4-methoxybenzenesulfonyl)piperazin-1-YL]propanamide
CID 9550798
3-(3,4-Dimethoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10714544
4-(4-Methoxy-benzenesulfonyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 1082645

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(4-methoxyphenyl)acetamide (CID 1123807) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(4-methoxyphenyl)acetamide?
The InChIKey is ALQMEBPIJXBLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O7S/c1-30-19-9-5-17(6-10-19)25-24(27)16-26(18-7-11-20(31-2)12-8-18)34(28,29)21-13-14-22(32-3)23(15-21)33-4/h5-15H,16H2,1-4H3,(H,25,27).
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(4-methoxyphenyl)acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(4-methoxyphenyl)acetamide has a molecular weight of 486.55 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1123807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).