2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide

C26H31N3O7S2 — CID 126273365

IUPAC2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H31N3O7S2/c1-5-28(6-2)37(31,32)23-15-12-20(13-16-23)27-26(30)19-29(38(33,34)22-10-8-7-9-11-22)21-14-17-24(35-3)25(18-21)36-4/h7-18H,5-6,19H2,1-4H3,(H,27,30)
InChIKeyTYRXRWZZXMQCDC-UHFFFAOYSA-N
MW561.68 g/mol
LogP3.57
Rot. Bonds12

About 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide

2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 126273365) has the molecular formula C26H31N3O7S2 and a molecular weight of 561.68 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
PubChem CID126273365
Molecular FormulaC26H31N3O7S2
Molecular Weight561.68 g/mol
Exact Mass561.16
IUPAC Name2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H31N3O7S2/c1-5-28(6-2)37(31,32)23-15-12-20(13-16-23)27-26(30)19-29(38(33,34)22-10-8-7-9-11-22)21-14-17-24(35-3)25(18-21)36-4/h7-18H,5-6,19H2,1-4H3,(H,27,30)
InChIKeyTYRXRWZZXMQCDC-UHFFFAOYSA-N
XLogP3.57
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.68
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-phenylacetamide
CID 998314
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 21372133
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4164776
N-[4-(diethylsulfamoyl)phenyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126259402
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 126127532
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 2174929
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide
CID 1206346
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(4-ethoxyphenyl)acetamide
CID 53280603
N-[4-(diethylsulfamoyl)phenyl]-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
CID 126348365
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(4-ethoxyphenyl)acetamide
CID 1336528
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-naphthalen-1-ylacetamide
CID 1099906
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(4-phenoxyphenyl)acetamide
CID 30170290

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide (CID 126273365) is 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is TYRXRWZZXMQCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O7S2/c1-5-28(6-2)37(31,32)23-15-12-20(13-16-23)27-26(30)19-29(38(33,34)22-10-8-7-9-11-22)21-14-17-24(35-3)25(18-21)36-4/h7-18H,5-6,19H2,1-4H3,(H,27,30).
What are the key properties of 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide?
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 561.68 g/mol, XLogP of 3.57, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 126273365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).