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

C24H26N2O5S — CID 26565937

IUPAC2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C24H26N2O5S/c1-18-8-7-9-20(14-18)26(32(28,29)21-10-5-4-6-11-21)17-24(27)25-16-19-12-13-22(30-2)23(15-19)31-3/h4-15H,16-17H2,1-3H3,(H,25,27)
InChIKeyWPOWVSCRWNFHFM-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.52
Rot. Bonds9

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

2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 26565937) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID26565937
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C24H26N2O5S/c1-18-8-7-9-20(14-18)26(32(28,29)21-10-5-4-6-11-21)17-24(27)25-16-19-12-13-22(30-2)23(15-19)31-3/h4-15H,16-17H2,1-3H3,(H,25,27)
InChIKeyWPOWVSCRWNFHFM-UHFFFAOYSA-N
XLogP3.52
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 92686228
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 30306922
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28547274
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 978493
2-[N-(benzenesulfonyl)anilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30174005
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 26565908
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 92676343
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30202029
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28577306
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 30304410
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 28571064
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 3683181

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 26565937) is 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is WPOWVSCRWNFHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-18-8-7-9-20(14-18)26(32(28,29)21-10-5-4-6-11-21)17-24(27)25-16-19-12-13-22(30-2)23(15-19)31-3/h4-15H,16-17H2,1-3H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 454.55 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 26565937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).