2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide

C24H26N2O6S — CID 22307389

IUPAC2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CNc2ccc(OC)c(OC)c2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O6S/c1-30-18-11-9-17(10-12-18)15-26-22(27)16-25-20-13-14-21(31-2)23(32-3)24(20)33(28,29)19-7-5-4-6-8-19/h4-14,25H,15-16H2,1-3H3,(H,26,27)
InChIKeyPWHYUAWFROCDMU-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.27
Rot. Bonds10

About 2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide

2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 22307389) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID22307389
Molecular FormulaC24H26N2O6S
Molecular Weight470.55 g/mol
Exact Mass470.15
IUPAC Name2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CNc2ccc(OC)c(OC)c2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O6S/c1-30-18-11-9-17(10-12-18)15-26-22(27)16-25-20-13-14-21(31-2)23(32-3)24(20)33(28,29)19-7-5-4-6-8-19/h4-14,25H,15-16H2,1-3H3,(H,26,27)
InChIKeyPWHYUAWFROCDMU-UHFFFAOYSA-N
XLogP3.27
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(2-phenylmethoxyanilino)acetamide
CID 54827829
2-[3-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propylacetamide
CID 22305132
2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112992791
2-[benzenesulfonyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 45372008
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-tert-butylacetamide
CID 22304181
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 978493
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
1-[4-(benzenesulfonyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824686
2-(2,6-dimethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7612549
2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 26437643
N-(2-bromophenyl)-2-(3,4-dimethoxy-2-methylsulfonylanilino)acetamide
CID 22303984
2-[(3-fluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2445848

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide (CID 22307389) is 2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CNc2ccc(OC)c(OC)c2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is PWHYUAWFROCDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6S/c1-30-18-11-9-17(10-12-18)15-26-22(27)16-25-20-13-14-21(31-2)23(32-3)24(20)33(28,29)19-7-5-4-6-8-19/h4-14,25H,15-16H2,1-3H3,(H,26,27).
What are the key properties of 2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 470.55 g/mol, XLogP of 3.27, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 22307389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).