N-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide

C14H23N3O3S — CID 60739481

IUPACN-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCC1CCC(NC(=O)c2cc(S(N)(=O)=O)cn2C)CC1
InChIInChI=1S/C14H23N3O3S/c1-3-10-4-6-11(7-5-10)16-14(18)13-8-12(9-17(13)2)21(15,19)20/h8-11H,3-7H2,1-2H3,(H,16,18)(H2,15,19,20)
InChIKeyVHBWJXURDLJGDT-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.37
Rot. Bonds4

About N-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide

N-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 60739481) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID60739481
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCC1CCC(NC(=O)c2cc(S(N)(=O)=O)cn2C)CC1
InChIInChI=1S/C14H23N3O3S/c1-3-10-4-6-11(7-5-10)16-14(18)13-8-12(9-17(13)2)21(15,19)20/h8-11H,3-7H2,1-2H3,(H,16,18)(H2,15,19,20)
InChIKeyVHBWJXURDLJGDT-UHFFFAOYSA-N
XLogP1.37
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide
CID 61244506
2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813703
N-(3-methylcyclopentyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612598
N-cyclopentyl-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 34366355
1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612520
N-(2-cyclopropyloxolan-3-yl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 103865048
N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide
CID 168679995
N-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide
CID 61244512
N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60977535
N-cyclopropyl-1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114611940
N-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 79113868
N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 61381311

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide (CID 60739481) is N-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide is CCC1CCC(NC(=O)c2cc(S(N)(=O)=O)cn2C)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is VHBWJXURDLJGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-10-4-6-11(7-5-10)16-14(18)13-8-12(9-17(13)2)21(15,19)20/h8-11H,3-7H2,1-2H3,(H,16,18)(H2,15,19,20).
What are the key properties of N-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
N-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 313.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 60739481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).