2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

C19H20FN5O5S3 — CID 28634237

IUPAC2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1F
InChIInChI=1S/C19H20FN5O5S3/c1-24(2)33(29,30)25(17-6-4-3-5-16(17)20)13-18(26)22-14-7-9-15(10-8-14)32(27,28)23-19-21-11-12-31-19/h3-12H,13H2,1-2H3,(H,21,23)(H,22,26)
InChIKeyROGDLPZUZRXZKS-UHFFFAOYSA-N
MW513.60 g/mol
LogP2.33
Rot. Bonds9

About 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 28634237) has the molecular formula C19H20FN5O5S3 and a molecular weight of 513.60 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID28634237
Molecular FormulaC19H20FN5O5S3
Molecular Weight513.60 g/mol
Exact Mass513.06
IUPAC Name2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1F
InChIInChI=1S/C19H20FN5O5S3/c1-24(2)33(29,30)25(17-6-4-3-5-16(17)20)13-18(26)22-14-7-9-15(10-8-14)32(27,28)23-19-21-11-12-31-19/h3-12H,13H2,1-2H3,(H,21,23)(H,22,26)
InChIKeyROGDLPZUZRXZKS-UHFFFAOYSA-N
XLogP2.33
TPSA128.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.60
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 38004489
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 99955420
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 46771539
2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 2197822
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 46771829
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92685375
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 43910550
N-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 53283595
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 99951086
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
N-[4-(diethylaminomethyl)phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 43909013
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53283554

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 28634237) is 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1F.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is ROGDLPZUZRXZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O5S3/c1-24(2)33(29,30)25(17-6-4-3-5-16(17)20)13-18(26)22-14-7-9-15(10-8-14)32(27,28)23-19-21-11-12-31-19/h3-12H,13H2,1-2H3,(H,21,23)(H,22,26).
What are the key properties of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 513.60 g/mol, XLogP of 2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 28634237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).