N-(1-cyclohexylpropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide

C14H23N3O3S — CID 65387692

IUPACN-(1-cyclohexylpropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESCCC(NC(=O)c1cc(S(N)(=O)=O)c[nH]1)C1CCCCC1
InChIInChI=1S/C14H23N3O3S/c1-2-12(10-6-4-3-5-7-10)17-14(18)13-8-11(9-16-13)21(15,19)20/h8-10,12,16H,2-7H2,1H3,(H,17,18)(H2,15,19,20)
InChIKeyCJNPRAFYUUAKDZ-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.75
Rot. Bonds5

About N-(1-cyclohexylpropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide

N-(1-cyclohexylpropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide (PubChem CID 65387692) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(1-cyclohexylpropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylpropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
PubChem CID65387692
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-(1-cyclohexylpropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
SMILESCCC(NC(=O)c1cc(S(N)(=O)=O)c[nH]1)C1CCCCC1
InChIInChI=1S/C14H23N3O3S/c1-2-12(10-6-4-3-5-7-10)17-14(18)13-8-11(9-16-13)21(15,19)20/h8-10,12,16H,2-7H2,1H3,(H,17,18)(H2,15,19,20)
InChIKeyCJNPRAFYUUAKDZ-UHFFFAOYSA-N
XLogP1.75
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388887
N-(1-cyclopropylethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65386253
N-(1-cyclopropylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65387153
N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388360
N-(4-propylcyclohexyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388033
N-(1-cyclohexylpropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765034
N-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65381999
4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide
CID 62405626
N-(1-cyclohexylpropyl)-4-hydrazinylpyridine-2-carboxamide
CID 62407089
N-(1-cyclohexylpropyl)-1,3-thiazole-4-carboxamide
CID 63050141
N-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide
CID 107722905
N-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide
CID 63189612

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(1-cyclohexylpropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide (CID 65387692) is N-(1-cyclohexylpropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-cyclohexylpropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(1-cyclohexylpropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide is CCC(NC(=O)c1cc(S(N)(=O)=O)c[nH]1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylpropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
The InChIKey is CJNPRAFYUUAKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-2-12(10-6-4-3-5-7-10)17-14(18)13-8-11(9-16-13)21(15,19)20/h8-10,12,16H,2-7H2,1H3,(H,17,18)(H2,15,19,20).
What are the key properties of N-(1-cyclohexylpropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide?
N-(1-cyclohexylpropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide has a molecular weight of 313.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpropyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 65387692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).