4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-cyclopropylamino]methyl]benzamide

C25H31N3O4S — CID 38371562

IUPAC4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-cyclopropylamino]methyl]benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cc1
InChIInChI=1S/C25H31N3O4S/c1-27(21-5-3-2-4-6-21)33(31,32)23-15-11-20(12-16-23)25(30)28(22-13-14-22)17-18-7-9-19(10-8-18)24(26)29/h7-12,15-16,21-22H,2-6,13-14,17H2,1H3,(H2,26,29)
InChIKeyKNHHCEXCCSNQHO-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.54
Rot. Bonds8

About 4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-cyclopropylamino]methyl]benzamide

4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-cyclopropylamino]methyl]benzamide (PubChem CID 38371562) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is 4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-cyclopropylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-cyclopropylamino]methyl]benzamide
PubChem CID38371562
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC Name4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-cyclopropylamino]methyl]benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cc1
InChIInChI=1S/C25H31N3O4S/c1-27(21-5-3-2-4-6-21)33(31,32)23-15-11-20(12-16-23)25(30)28(22-13-14-22)17-18-7-9-19(10-8-18)24(26)29/h7-12,15-16,21-22H,2-6,13-14,17H2,1H3,(H2,26,29)
InChIKeyKNHHCEXCCSNQHO-UHFFFAOYSA-N
XLogP3.54
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclohexyl(methyl)sulfamoyl]-N-cyclopentyl-N-ethylbenzamide
CID 134060936
4-[cyclohexyl(methyl)sulfamoyl]-N-[[4-(dimethylamino)phenyl]methyl]-N-methylbenzamide
CID 27861404
4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride
CID 166523994
4-[[cyclopropyl-[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzamide
CID 38371513
N-cyclopropyl-4-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 9298439
N-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide
CID 46494457
4-[amino(cyclohexyl)sulfamoyl]benzamide
CID 123734526
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
CID 32589766
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide
CID 38371299
N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
CID 119384031
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 47009631

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-cyclopropylamino]methyl]benzamide?
The IUPAC name of 4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-cyclopropylamino]methyl]benzamide (CID 38371562) is 4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-cyclopropylamino]methyl]benzamide.
What is the SMILES notation for 4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-cyclopropylamino]methyl]benzamide?
The canonical SMILES for 4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-cyclopropylamino]methyl]benzamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cc1.
What is the InChIKey of 4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-cyclopropylamino]methyl]benzamide?
The InChIKey is KNHHCEXCCSNQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-27(21-5-3-2-4-6-21)33(31,32)23-15-11-20(12-16-23)25(30)28(22-13-14-22)17-18-7-9-19(10-8-18)24(26)29/h7-12,15-16,21-22H,2-6,13-14,17H2,1H3,(H2,26,29).
What are the key properties of 4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-cyclopropylamino]methyl]benzamide?
4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-cyclopropylamino]methyl]benzamide has a molecular weight of 469.61 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-cyclopropylamino]methyl]benzamide is sourced from PubChem (CID 38371562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).