2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide

C26H24N4O6S2 — CID 43909462

IUPAC2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
SMILESCOc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C26H24N4O6S2/c1-36-23-9-5-8-22(17-23)30(38(34,35)25-10-3-2-4-11-25)19-26(31)28-20-12-14-24(15-13-20)37(32,33)29-21-7-6-16-27-18-21/h2-18,29H,19H2,1H3,(H,28,31)
InChIKeyMNPLYDOCFUFSBE-UHFFFAOYSA-N
MW552.63 g/mol
LogP3.72
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide

2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide (PubChem CID 43909462) has the molecular formula C26H24N4O6S2 and a molecular weight of 552.63 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
PubChem CID43909462
Molecular FormulaC26H24N4O6S2
Molecular Weight552.63 g/mol
Exact Mass552.11
IUPAC Name2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
SMILESCOc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C26H24N4O6S2/c1-36-23-9-5-8-22(17-23)30(38(34,35)25-10-3-2-4-11-25)19-26(31)28-20-12-14-24(15-13-20)37(32,33)29-21-7-6-16-27-18-21/h2-18,29H,19H2,1H3,(H,28,31)
InChIKeyMNPLYDOCFUFSBE-UHFFFAOYSA-N
XLogP3.72
TPSA134.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.63
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 43907781
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 43877099
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 99943258
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43879935
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide
CID 1204014
2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 38014764
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3,5-dimethylphenyl)acetamide
CID 998295
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880378
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-pyridin-3-ylacetamide
CID 23876415
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 99942412
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 126180592
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]acetamide
CID 43881547

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide (CID 43909462) is 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide is COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide?
The InChIKey is MNPLYDOCFUFSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O6S2/c1-36-23-9-5-8-22(17-23)30(38(34,35)25-10-3-2-4-11-25)19-26(31)28-20-12-14-24(15-13-20)37(32,33)29-21-7-6-16-27-18-21/h2-18,29H,19H2,1H3,(H,28,31).
What are the key properties of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide?
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide has a molecular weight of 552.63 g/mol, XLogP of 3.72, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 43909462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).