2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

C27H26N4O6S2 — CID 43916157

IUPAC2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H26N4O6S2/c1-20-11-16-25(37-2)24(18-20)31(39(35,36)23-8-4-3-5-9-23)19-27(32)29-21-12-14-22(15-13-21)38(33,34)30-26-10-6-7-17-28-26/h3-18H,19H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyWORDYCJEOYQKNW-UHFFFAOYSA-N
MW566.66 g/mol
LogP4.03
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 43916157) has the molecular formula C27H26N4O6S2 and a molecular weight of 566.66 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID43916157
Molecular FormulaC27H26N4O6S2
Molecular Weight566.66 g/mol
Exact Mass566.13
IUPAC Name2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H26N4O6S2/c1-20-11-16-25(37-2)24(18-20)31(39(35,36)23-8-4-3-5-9-23)19-27(32)29-21-12-14-22(15-13-21)38(33,34)30-26-10-6-7-17-28-26/h3-18H,19H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyWORDYCJEOYQKNW-UHFFFAOYSA-N
XLogP4.03
TPSA134.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.66
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 43916482
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-methylphenyl)acetamide
CID 30169948
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide
CID 1210617
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide
CID 1372918
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43882064
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43879909
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880647
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43880229
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 1280039
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 43876944
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43881594
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43880562

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (CID 43916157) is 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is WORDYCJEOYQKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O6S2/c1-20-11-16-25(37-2)24(18-20)31(39(35,36)23-8-4-3-5-9-23)19-27(32)29-21-12-14-22(15-13-21)38(33,34)30-26-10-6-7-17-28-26/h3-18H,19H2,1-2H3,(H,28,30)(H,29,32).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 566.66 g/mol, XLogP of 4.03, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 43916157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).