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

C25H28N2O5S — CID 92676343

IUPAC2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C25H28N2O5S/c1-18-9-8-12-22(19(18)2)27(33(29,30)21-10-6-5-7-11-21)17-25(28)26-16-20-13-14-23(31-3)24(15-20)32-4/h5-15H,16-17H2,1-4H3,(H,26,28)
InChIKeyQOOGPSYULLEEBJ-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.83
Rot. Bonds9

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

2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 92676343) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID92676343
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C25H28N2O5S/c1-18-9-8-12-22(19(18)2)27(33(29,30)21-10-6-5-7-11-21)17-25(28)26-16-20-13-14-23(31-3)24(15-20)32-4/h5-15H,16-17H2,1-4H3,(H,26,28)
InChIKeyQOOGPSYULLEEBJ-UHFFFAOYSA-N
XLogP3.83
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 26565937
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 92686228
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 30229852
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30202889
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 30272961
N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 30256831
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 30304410
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 978493
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30203960
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 43897642
2-[N-(benzenesulfonyl)anilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30174005
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(2-methylphenyl)methyl]acetamide
CID 1009965

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 92676343) is 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is QOOGPSYULLEEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-18-9-8-12-22(19(18)2)27(33(29,30)21-10-6-5-7-11-21)17-25(28)26-16-20-13-14-23(31-3)24(15-20)32-4/h5-15H,16-17H2,1-4H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 468.58 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 92676343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).