N-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide

C17H21N3O3S2 — CID 72855243

IUPACN-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NC1CCCCC1)c1cccc(S(=O)(=O)NCc2nccs2)c1
InChIInChI=1S/C17H21N3O3S2/c21-17(20-14-6-2-1-3-7-14)13-5-4-8-15(11-13)25(22,23)19-12-16-18-9-10-24-16/h4-5,8-11,14,19H,1-3,6-7,12H2,(H,20,21)
InChIKeyVWMZYCFBWOBXBR-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.68
Rot. Bonds6

About N-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide

N-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide (PubChem CID 72855243) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide
PubChem CID72855243
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NC1CCCCC1)c1cccc(S(=O)(=O)NCc2nccs2)c1
InChIInChI=1S/C17H21N3O3S2/c21-17(20-14-6-2-1-3-7-14)13-5-4-8-15(11-13)25(22,23)19-12-16-18-9-10-24-16/h4-5,8-11,14,19H,1-3,6-7,12H2,(H,20,21)
InChIKeyVWMZYCFBWOBXBR-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-3-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 72938546
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
N-cyclopentyl-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide
CID 72867764
N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109063994
N-cyclopentyl-3-(2-pyridin-2-ylethylsulfamoyl)benzamide
CID 72859318
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
3-(tert-butylsulfamoyl)-N-cyclopentylbenzamide
CID 9214321
N-cyclohexyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 3228850
3-[[(3S)-oxolan-3-yl]methylsulfamoyl]-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 99941962
3-(oxolan-3-ylmethylsulfamoyl)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 77091188
3-(cyclopentylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 166188646
4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide
CID 45273834

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide (CID 72855243) is N-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide is O=C(NC1CCCCC1)c1cccc(S(=O)(=O)NCc2nccs2)c1.
What is the InChIKey of N-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide?
The InChIKey is VWMZYCFBWOBXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c21-17(20-14-6-2-1-3-7-14)13-5-4-8-15(11-13)25(22,23)19-12-16-18-9-10-24-16/h4-5,8-11,14,19H,1-3,6-7,12H2,(H,20,21).
What are the key properties of N-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide?
N-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide has a molecular weight of 379.51 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 72855243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).