3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide

C15H22N2O3S — CID 4588833

IUPAC3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CCC2CCCCC2)c1
InChIInChI=1S/C15H22N2O3S/c16-21(19,20)14-8-4-7-13(11-14)17-15(18)10-9-12-5-2-1-3-6-12/h4,7-8,11-12H,1-3,5-6,9-10H2,(H,17,18)(H2,16,19,20)
InChIKeyPVCAXQQOTAQQHW-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.63
Rot. Bonds5

About 3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide

3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide (PubChem CID 4588833) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide
PubChem CID4588833
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CCC2CCCCC2)c1
InChIInChI=1S/C15H22N2O3S/c16-21(19,20)14-8-4-7-13(11-14)17-15(18)10-9-12-5-2-1-3-6-12/h4,7-8,11-12H,1-3,5-6,9-10H2,(H,17,18)(H2,16,19,20)
InChIKeyPVCAXQQOTAQQHW-UHFFFAOYSA-N
XLogP2.63
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 3-(3-cyclopentylpropanoylamino)benzoate
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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide (CID 4588833) is 3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide is NS(=O)(=O)c1cccc(NC(=O)CCC2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is PVCAXQQOTAQQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c16-21(19,20)14-8-4-7-13(11-14)17-15(18)10-9-12-5-2-1-3-6-12/h4,7-8,11-12H,1-3,5-6,9-10H2,(H,17,18)(H2,16,19,20).
What are the key properties of 3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide?
3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 310.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 4588833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).