N-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide

C23H29N3O4S — CID 26906866

IUPACN-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H29N3O4S/c1-26(20-10-6-3-7-11-20)31(29,30)21-14-12-19(13-15-21)25-22(27)16-17-24-23(28)18-8-4-2-5-9-18/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16-17H2,1H3,(H,24,28)(H,25,27)
InChIKeyLLCDXTVIOINYOY-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.40
Rot. Bonds8

About N-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide

N-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide (PubChem CID 26906866) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide
PubChem CID26906866
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H29N3O4S/c1-26(20-10-6-3-7-11-20)31(29,30)21-14-12-19(13-15-21)25-22(27)16-17-24-23(28)18-8-4-2-5-9-18/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16-17H2,1H3,(H,24,28)(H,25,27)
InChIKeyLLCDXTVIOINYOY-UHFFFAOYSA-N
XLogP3.40
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid
CID 1266303
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide
CID 26213288
3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide
CID 17178988
N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
CID 119384031
N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 55805978
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119432186
4-[cyclopentyl(methyl)sulfamoyl]-N-naphthalen-1-ylbenzamide
CID 7656072
4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide
CID 60549241
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 4955000
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 4777920
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
CID 135231517

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide (CID 26906866) is N-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide?
The InChIKey is LLCDXTVIOINYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-26(20-10-6-3-7-11-20)31(29,30)21-14-12-19(13-15-21)25-22(27)16-17-24-23(28)18-8-4-2-5-9-18/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16-17H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide?
N-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide has a molecular weight of 443.57 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 26906866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).