2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide

C24H26FN3O6S2 — CID 43876537

IUPAC2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H26FN3O6S2/c1-17(2)27-35(30,31)21-13-14-23(34-3)22(15-21)26-24(29)16-28(19-7-5-4-6-8-19)36(32,33)20-11-9-18(25)10-12-20/h4-15,17,27H,16H2,1-3H3,(H,26,29)
InChIKeyHRXLPIOPUBSMNQ-UHFFFAOYSA-N
MW535.62 g/mol
LogP3.36
Rot. Bonds10

About 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide

2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 43876537) has the molecular formula C24H26FN3O6S2 and a molecular weight of 535.62 g/mol. Its IUPAC name is 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
PubChem CID43876537
Molecular FormulaC24H26FN3O6S2
Molecular Weight535.62 g/mol
Exact Mass535.12
IUPAC Name2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H26FN3O6S2/c1-17(2)27-35(30,31)21-13-14-23(34-3)22(15-21)26-24(29)16-28(19-7-5-4-6-8-19)36(32,33)20-11-9-18(25)10-12-20/h4-15,17,27H,16H2,1-3H3,(H,26,29)
InChIKeyHRXLPIOPUBSMNQ-UHFFFAOYSA-N
XLogP3.36
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.62
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43901959
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43901876
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43902177
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43885181
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43902059
2-(2-methoxy-N-methylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 92684341
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1103809
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 43902428
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 30264956
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 99940963
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1338618
N-(2,5-dimethoxyphenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1098083

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide (CID 43876537) is 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide is COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is HRXLPIOPUBSMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O6S2/c1-17(2)27-35(30,31)21-13-14-23(34-3)22(15-21)26-24(29)16-28(19-7-5-4-6-8-19)36(32,33)20-11-9-18(25)10-12-20/h4-15,17,27H,16H2,1-3H3,(H,26,29).
What are the key properties of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide?
2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 535.62 g/mol, XLogP of 3.36, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-fluorophenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 43876537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).