3-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylethyl)benzamide

C20H26N2O3S2 — CID 43008206

IUPAC3-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylethyl)benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NCCc2cccs2)c1
InChIInChI=1S/C20H26N2O3S2/c1-22(17-8-3-2-4-9-17)27(24,25)19-11-5-7-16(15-19)20(23)21-13-12-18-10-6-14-26-18/h5-7,10-11,14-15,17H,2-4,8-9,12-13H2,1H3,(H,21,23)
InChIKeyKVHQUDNUHLMRKD-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.67
Rot. Bonds7

About 3-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylethyl)benzamide

3-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 43008206) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID43008206
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC Name3-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylethyl)benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NCCc2cccs2)c1
InChIInChI=1S/C20H26N2O3S2/c1-22(17-8-3-2-4-9-17)27(24,25)19-11-5-7-16(15-19)20(23)21-13-12-18-10-6-14-26-18/h5-7,10-11,14-15,17H,2-4,8-9,12-13H2,1H3,(H,21,23)
InChIKeyKVHQUDNUHLMRKD-UHFFFAOYSA-N
XLogP3.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid
CID 120687513
3-[cyclohexyl(methyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120653199
3-[cyclohexyl(methyl)sulfamoyl]-N-ethoxybenzamide
CID 43048017
3-[cyclohexyl(methyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 30954449
N-cyclopentyl-3-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 72938546
3-[cyclohexyl(methyl)sulfamoyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120943251
(2S)-2-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-3-methylbutanoic acid
CID 9291692
3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770200
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252
3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 43017747
N-(1-acetylazetidin-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 127392421
3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]-ethylamino]propanoic acid
CID 120685984

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylethyl)benzamide (CID 43008206) is 3-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylethyl)benzamide is CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NCCc2cccs2)c1.
What is the InChIKey of 3-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is KVHQUDNUHLMRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-22(17-8-3-2-4-9-17)27(24,25)19-11-5-7-16(15-19)20(23)21-13-12-18-10-6-14-26-18/h5-7,10-11,14-15,17H,2-4,8-9,12-13H2,1H3,(H,21,23).
What are the key properties of 3-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylethyl)benzamide?
3-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 406.57 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 43008206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).