4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide

C24H26N2O3S2 — CID 55469203

IUPAC4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2cccs2)cc1
InChIInChI=1S/C24H26N2O3S2/c1-26(19-8-3-2-4-9-19)31(28,29)20-15-13-18(14-16-20)24(27)25-22-11-6-5-10-21(22)23-12-7-17-30-23/h5-7,10-17,19H,2-4,8-9H2,1H3,(H,25,27)
InChIKeyPNCOYLNJQXZQPB-UHFFFAOYSA-N
MW454.62 g/mol
LogP5.62
Rot. Bonds6

About 4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide

4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide (PubChem CID 55469203) has the molecular formula C24H26N2O3S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide
PubChem CID55469203
Molecular FormulaC24H26N2O3S2
Molecular Weight454.62 g/mol
Exact Mass454.14
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2cccs2)cc1
InChIInChI=1S/C24H26N2O3S2/c1-26(19-8-3-2-4-9-19)31(28,29)20-15-13-18(14-16-20)24(27)25-22-11-6-5-10-21(22)23-12-7-17-30-23/h5-7,10-17,19H,2-4,8-9H2,1H3,(H,25,27)
InChIKeyPNCOYLNJQXZQPB-UHFFFAOYSA-N
XLogP5.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclohexyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 60551556
4-[cyclopentyl(methyl)sulfamoyl]-N-naphthalen-1-ylbenzamide
CID 7656072
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 16831200
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
N-(2-chlorophenyl)-4-[cyclopropyl(methyl)sulfamoyl]benzamide
CID 41364040
4-[cyclopentyl(methyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 7656045
4-[cyclohexyl(methyl)sulfamoyl]-N-(1-thiophen-2-ylpropyl)benzamide
CID 55908392
2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 26706774
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(triazol-1-yl)phenyl]benzamide
CID 112827708
N-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 7656091
methyl N-[2-[[4-[cyclopentyl(methyl)sulfamoyl]benzoyl]amino]thiophene-3-carbonyl]carbamate
CID 43947365
4-[cyclopentyl(methyl)sulfamoyl]-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 16831192

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide (CID 55469203) is 4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2cccs2)cc1.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide?
The InChIKey is PNCOYLNJQXZQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S2/c1-26(19-8-3-2-4-9-19)31(28,29)20-15-13-18(14-16-20)24(27)25-22-11-6-5-10-21(22)23-12-7-17-30-23/h5-7,10-17,19H,2-4,8-9H2,1H3,(H,25,27).
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide?
4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide has a molecular weight of 454.62 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide is sourced from PubChem (CID 55469203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).