N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide

C23H24FN3O6S2 — CID 28589406

IUPACN-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C23H24FN3O6S2/c1-16-4-13-22(33-2)21(14-16)27(34(3,29)30)15-23(28)25-18-9-11-20(12-10-18)35(31,32)26-19-7-5-17(24)6-8-19/h4-14,26H,15H2,1-3H3,(H,25,28)
InChIKeyGCIVZCIFGULQBL-UHFFFAOYSA-N
MW521.59 g/mol
LogP3.35
Rot. Bonds9

About N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide

N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 28589406) has the molecular formula C23H24FN3O6S2 and a molecular weight of 521.59 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
PubChem CID28589406
Molecular FormulaC23H24FN3O6S2
Molecular Weight521.59 g/mol
Exact Mass521.11
IUPAC NameN-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C23H24FN3O6S2/c1-16-4-13-22(33-2)21(14-16)27(34(3,29)30)15-23(28)25-18-9-11-20(12-10-18)35(31,32)26-19-7-5-17(24)6-8-19/h4-14,26H,15H2,1-3H3,(H,25,28)
InChIKeyGCIVZCIFGULQBL-UHFFFAOYSA-N
XLogP3.35
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.59
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-iodophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 998382
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 28589582
N-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 2209494
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43881644
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43880241
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1099912
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1338023
N-(3,4-dichlorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 21372378
N-(3,5-dichlorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 1095299
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43879909
2-(2-bromo-N-methylsulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43882152
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43880089

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide (CID 28589406) is N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide is COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is GCIVZCIFGULQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O6S2/c1-16-4-13-22(33-2)21(14-16)27(34(3,29)30)15-23(28)25-18-9-11-20(12-10-18)35(31,32)26-19-7-5-17(24)6-8-19/h4-14,26H,15H2,1-3H3,(H,25,28).
What are the key properties of N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 521.59 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 28589406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).