2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide

C24H27FN4O6S2 — CID 18891044

IUPAC2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C24H27FN4O6S2/c1-4-35-22-13-7-20(8-14-22)27-36(31,32)23-15-9-19(10-16-23)26-24(30)17-29(37(33,34)28(2)3)21-11-5-18(25)6-12-21/h5-16,27H,4,17H2,1-3H3,(H,26,30)
InChIKeyJDAQOKIUOPCBEN-UHFFFAOYSA-N
MW550.63 g/mol
LogP3.28
Rot. Bonds11

About 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide

2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 18891044) has the molecular formula C24H27FN4O6S2 and a molecular weight of 550.63 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
PubChem CID18891044
Molecular FormulaC24H27FN4O6S2
Molecular Weight550.63 g/mol
Exact Mass550.14
IUPAC Name2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C24H27FN4O6S2/c1-4-35-22-13-7-20(8-14-22)27-36(31,32)23-15-9-19(10-16-23)26-24(30)17-29(37(33,34)28(2)3)21-11-5-18(25)6-12-21/h5-16,27H,4,17H2,1-3H3,(H,26,30)
InChIKeyJDAQOKIUOPCBEN-UHFFFAOYSA-N
XLogP3.28
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.63
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 18891040
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(4-methoxyphenyl)acetamide
CID 53283291
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126395320
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 18891028
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 99950848
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]acetamide
CID 5214646
N-(4-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 978482
N-(4-chlorophenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126385893
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126413803
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(4-methylphenyl)acetamide
CID 53283197
ethyl 4-[[2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetyl]amino]benzoate
CID 92663958

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide (CID 18891044) is 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide is CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is JDAQOKIUOPCBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O6S2/c1-4-35-22-13-7-20(8-14-22)27-36(31,32)23-15-9-19(10-16-23)26-24(30)17-29(37(33,34)28(2)3)21-11-5-18(25)6-12-21/h5-16,27H,4,17H2,1-3H3,(H,26,30).
What are the key properties of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide?
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 550.63 g/mol, XLogP of 3.28, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 18891044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).