4-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide

C21H22FN3O3S2 — CID 5129133

IUPAC4-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C21H22FN3O3S2/c1-3-4-13-25(2)30(27,28)18-11-7-16(8-12-18)20(26)24-21-23-19(14-29-21)15-5-9-17(22)10-6-15/h5-12,14H,3-4,13H2,1-2H3,(H,23,24,26)
InChIKeyWGNYFJGGELLHOB-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.62
Rot. Bonds8

About 4-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide

4-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 5129133) has the molecular formula C21H22FN3O3S2 and a molecular weight of 447.56 g/mol. Its IUPAC name is 4-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID5129133
Molecular FormulaC21H22FN3O3S2
Molecular Weight447.56 g/mol
Exact Mass447.11
IUPAC Name4-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C21H22FN3O3S2/c1-3-4-13-25(2)30(27,28)18-11-7-16(8-12-18)20(26)24-21-23-19(14-29-21)15-5-9-17(22)10-6-15/h5-12,14H,3-4,13H2,1-2H3,(H,23,24,26)
InChIKeyWGNYFJGGELLHOB-UHFFFAOYSA-N
XLogP4.62
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 4100899
4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3359761
4-(ethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 78828085
4-[cyclopentyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 18584062
4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4098935
4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4099174
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 3271208
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 31288135
4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 998509
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 60551837

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide (CID 5129133) is 4-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide is CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1.
What is the InChIKey of 4-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is WGNYFJGGELLHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S2/c1-3-4-13-25(2)30(27,28)18-11-7-16(8-12-18)20(26)24-21-23-19(14-29-21)15-5-9-17(22)10-6-15/h5-12,14H,3-4,13H2,1-2H3,(H,23,24,26).
What are the key properties of 4-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
4-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 447.56 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 5129133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).