4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide

C17H21N3O3S2 — CID 652627

IUPAC4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(S(=O)(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C17H21N3O3S2/c21-16(20-17-18-10-11-24-17)14-6-8-15(9-7-14)25(22,23)19-12-13-4-2-1-3-5-13/h6-11,13,19H,1-5,12H2,(H,18,20,21)
InChIKeyQFQOHPYLCCJBDK-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.25
Rot. Bonds6

About 4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide

4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 652627) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID652627
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(S(=O)(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C17H21N3O3S2/c21-16(20-17-18-10-11-24-17)14-6-8-15(9-7-14)25(22,23)19-12-13-4-2-1-3-5-13/h6-11,13,19H,1-5,12H2,(H,18,20,21)
InChIKeyQFQOHPYLCCJBDK-UHFFFAOYSA-N
XLogP3.25
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 42580746
4-[cyclopentyl(methyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 7656045
4-(cyclohexylmethylsulfamoyl)benzoic acid
CID 18524305
4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295292
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 100566536
4-(3-hydroxypiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 122152547
4-(cyclobutylmethylsulfamoyl)benzoic acid
CID 43275322
3-(cyclopentylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 166188646
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 18291900
4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 11222117
cis-(1R,2S)-2-[[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6980152
4-[[(2S)-oxolan-2-yl]methoxy]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2161674

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide (CID 652627) is 4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(S(=O)(=O)NCC2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is QFQOHPYLCCJBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c21-16(20-17-18-10-11-24-17)14-6-8-15(9-7-14)25(22,23)19-12-13-4-2-1-3-5-13/h6-11,13,19H,1-5,12H2,(H,18,20,21).
What are the key properties of 4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide?
4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 379.51 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 652627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).