N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C24H24N2O7S — CID 986751

IUPACN-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C24H24N2O7S/c1-16-4-8-19(9-5-16)34(28,29)26(18-7-11-20(30-2)22(13-18)31-3)14-24(27)25-17-6-10-21-23(12-17)33-15-32-21/h4-13H,14-15H2,1-3H3,(H,25,27)
InChIKeyRQRBCRMAOASUMO-UHFFFAOYSA-N
MW484.53 g/mol
LogP3.57
Rot. Bonds8

About N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 986751) has the molecular formula C24H24N2O7S and a molecular weight of 484.53 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID986751
Molecular FormulaC24H24N2O7S
Molecular Weight484.53 g/mol
Exact Mass484.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C24H24N2O7S/c1-16-4-8-19(9-5-16)34(28,29)26(18-7-11-20(30-2)22(13-18)31-3)14-24(27)25-17-6-10-21-23(12-17)33-15-32-21/h4-13H,14-15H2,1-3H3,(H,25,27)
InChIKeyRQRBCRMAOASUMO-UHFFFAOYSA-N
XLogP3.57
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)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-(1,3-benzodioxol-5-yl)-2-benzylsulfonylacetamide
CID 970896
N-1,3-benzodioxol-5-yl-N'-(4-methylcyclohexyl)ethanediamide
CID 2223231
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
N-{4-[(1,3-benzodioxol-5-ylmethyl)sulfamoyl]phenyl}acetamide
CID 733023
2-[(3,4-Dimethoxy-phenyl)-(toluene-4-sulfonyl)-amino]-N-(2-ethoxy-phenyl)-acetamide
CID 1120614
N-(1,3-benzodioxol-5-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26908240
N-Benzo[1,3]dioxol-5-yl-2-(methanesulfonyl-phenyl-amino)-acetamide
CID 645332
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-N-[(1,1-dimethyl-propylcarbamoyl)-methyl]-2-(toluene-4-sulfonylamino)-acetamide
CID 645581
1-Phenylmethanesulfonyl-piperidine-3-carboxylic acid benzo[1,3]dioxol-5-ylamide
CID 647752
2-(Benzo[1,3]dioxol-5-ylcarbamoylmethanesulfinyl)-N-cyclopentylcarbamoylmethyl-N-m-tolyl-acetamide
CID 648192

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 986751) is N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is RQRBCRMAOASUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O7S/c1-16-4-8-19(9-5-16)34(28,29)26(18-7-11-20(30-2)22(13-18)31-3)14-24(27)25-17-6-10-21-23(12-17)33-15-32-21/h4-13H,14-15H2,1-3H3,(H,25,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 484.53 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 986751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).