2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

C25H28N2O6S — CID 92673487

IUPAC2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(OC)c(N(CC(=O)N(C)Cc2ccccc2OC)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C25H28N2O6S/c1-26(17-19-10-8-9-13-23(19)32-3)25(28)18-27(34(29,30)21-11-6-5-7-12-21)22-16-20(31-2)14-15-24(22)33-4/h5-16H,17-18H2,1-4H3
InChIKeyJERRQFREXQXPNB-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.57
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 92673487) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID92673487
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC Name2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(OC)c(N(CC(=O)N(C)Cc2ccccc2OC)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C25H28N2O6S/c1-26(17-19-10-8-9-13-23(19)32-3)25(28)18-27(34(29,30)21-11-6-5-7-12-21)22-16-20(31-2)14-15-24(22)33-4/h5-16H,17-18H2,1-4H3
InChIKeyJERRQFREXQXPNB-UHFFFAOYSA-N
XLogP3.57
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 28633355
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 92647368
2-[[2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylbutanamide
CID 132693244
N-benzyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172216
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 92678364
2-[[2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]acetyl]-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 132689729
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 30304869
2-[[2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]acetyl]-[(3-methoxyphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132642829
N-benzyl-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 3428518
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(1-phenylethyl)acetamide
CID 2889683
2-[[2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132640535
(2R)-2-[[2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]acetyl]-[(2-chlorophenyl)methyl]amino]-N-[(2S)-butan-2-yl]propanamide
CID 100551514

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (CID 92673487) is 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is COc1ccc(OC)c(N(CC(=O)N(C)Cc2ccccc2OC)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is JERRQFREXQXPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-26(17-19-10-8-9-13-23(19)32-3)25(28)18-27(34(29,30)21-11-6-5-7-12-21)22-16-20(31-2)14-15-24(22)33-4/h5-16H,17-18H2,1-4H3.
What are the key properties of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 484.57 g/mol, XLogP of 3.57, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 92673487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).