N-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide

C13H21N3O3S — CID 65387791

IUPACN-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(S(N)(=O)=O)cn1C)C1CCCC1
InChIInChI=1S/C13H21N3O3S/c1-3-16(10-6-4-5-7-10)13(17)12-8-11(9-15(12)2)20(14,18)19/h8-10H,3-7H2,1-2H3,(H2,14,18,19)
InChIKeyANHCXRSNCLPLTN-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.08
Rot. Bonds4

About N-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide

N-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 65387791) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID65387791
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(S(N)(=O)=O)cn1C)C1CCCC1
InChIInChI=1S/C13H21N3O3S/c1-3-16(10-6-4-5-7-10)13(17)12-8-11(9-15(12)2)20(14,18)19/h8-10H,3-7H2,1-2H3,(H2,14,18,19)
InChIKeyANHCXRSNCLPLTN-UHFFFAOYSA-N
XLogP1.08
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612108
2-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]acetic acid
CID 61022936
3-[ethyl-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 62822599
N-cyclohexyl-4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 34134358
N-(2-ethoxyethyl)-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 63722565
5-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65367293
N-(cyclohexylmethyl)-N-cyclopropyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 87028777
2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813703
N-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60739481
5-(azocane-1-carbonyl)-1-methylpyrrole-3-sulfonamide
CID 60708680
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 102558605
5-[cyclopropyl(3-methylbutyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 79005334

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of N-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide (CID 65387791) is N-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide is CCN(C(=O)c1cc(S(N)(=O)=O)cn1C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is ANHCXRSNCLPLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-16(10-6-4-5-7-10)13(17)12-8-11(9-15(12)2)20(14,18)19/h8-10H,3-7H2,1-2H3,(H2,14,18,19).
What are the key properties of N-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide?
N-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 65387791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).