N-(4-acetyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide

C16H18FN3O4S2 — CID 55435187

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(C(C)=O)cs2)ccc1F
InChIInChI=1S/C16H18FN3O4S2/c1-4-20(5-2)26(23,24)14-8-11(6-7-12(14)17)15(22)19-16-18-13(9-25-16)10(3)21/h6-9H,4-5H2,1-3H3,(H,18,19,22)
InChIKeyZXJOWGMYYBSPQR-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.77
Rot. Bonds7

About N-(4-acetyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide

N-(4-acetyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide (PubChem CID 55435187) has the molecular formula C16H18FN3O4S2 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
PubChem CID55435187
Molecular FormulaC16H18FN3O4S2
Molecular Weight399.47 g/mol
Exact Mass399.07
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(C(C)=O)cs2)ccc1F
InChIInChI=1S/C16H18FN3O4S2/c1-4-20(5-2)26(23,24)14-8-11(6-7-12(14)17)15(22)19-16-18-13(9-25-16)10(3)21/h6-9H,4-5H2,1-3H3,(H,18,19,22)
InChIKeyZXJOWGMYYBSPQR-UHFFFAOYSA-N
XLogP2.77
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[3-(diethylsulfamoyl)-4-methoxybenzoyl]amino]-1,3-thiazole-4-carboxylate
CID 55333801
3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4055507
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 52651915
N-(4-acetyl-1,3-thiazol-2-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55435386
N-(4-acetyl-1,3-thiazol-2-yl)-3-hydroxy-4-methylbenzamide
CID 64544456
2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 28858327
N-(1-adamantyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 26910714
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 60700131
N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide
CID 62998699
N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide
CID 112706110
N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 26534788
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 55336598

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide (CID 55435187) is N-(4-acetyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(C(C)=O)cs2)ccc1F.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide?
The InChIKey is ZXJOWGMYYBSPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O4S2/c1-4-20(5-2)26(23,24)14-8-11(6-7-12(14)17)15(22)19-16-18-13(9-25-16)10(3)21/h6-9H,4-5H2,1-3H3,(H,18,19,22).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide?
N-(4-acetyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide has a molecular weight of 399.47 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide is sourced from PubChem (CID 55435187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).