2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide

C24H29N3O4S — CID 26706774

IUPAC2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C24H29N3O4S/c1-3-17-25-24(29)21-11-7-8-12-22(21)26-23(28)18-13-15-20(16-14-18)32(30,31)27(2)19-9-5-4-6-10-19/h3,7-8,11-16,19H,1,4-6,9-10,17H2,2H3,(H,25,29)(H,26,28)
InChIKeyYXAZDFSQRSROAC-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.81
Rot. Bonds8

About 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide

2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide (PubChem CID 26706774) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
PubChem CID26706774
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C24H29N3O4S/c1-3-17-25-24(29)21-11-7-8-12-22(21)26-23(28)18-13-15-20(16-14-18)32(30,31)27(2)19-9-5-4-6-10-19/h3,7-8,11-16,19H,1,4-6,9-10,17H2,2H3,(H,25,29)(H,26,28)
InChIKeyYXAZDFSQRSROAC-UHFFFAOYSA-N
XLogP3.81
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 55413423
4-[cyclopentyl(methyl)sulfamoyl]-N-naphthalen-1-ylbenzamide
CID 7656072
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 46554834
4-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylphenyl)benzamide
CID 55469203
N-(2-benzoyl-4-bromophenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 23847974
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 7656086
N-(2-chlorophenyl)-4-[cyclopropyl(methyl)sulfamoyl]benzamide
CID 41364040
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methoxymethyl)benzamide
CID 46806930
N-(2-aminoethyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
CID 119384031
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(triazol-1-yl)phenyl]benzamide
CID 112827708
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 9245587

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide (CID 26706774) is 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide?
The InChIKey is YXAZDFSQRSROAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-3-17-25-24(29)21-11-7-8-12-22(21)26-23(28)18-13-15-20(16-14-18)32(30,31)27(2)19-9-5-4-6-10-19/h3,7-8,11-16,19H,1,4-6,9-10,17H2,2H3,(H,25,29)(H,26,28).
What are the key properties of 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide?
2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide has a molecular weight of 455.58 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 26706774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).