2-cyclopentyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-1-carboxamide

C18H27N3O3S — CID 87035057

IUPAC2-cyclopentyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-1-carboxamide
SMILESCNS(=O)(=O)c1cc(NC(=O)N2CCCC2C2CCCC2)ccc1C
InChIInChI=1S/C18H27N3O3S/c1-13-9-10-15(12-17(13)25(23,24)19-2)20-18(22)21-11-5-8-16(21)14-6-3-4-7-14/h9-10,12,14,16,19H,3-8,11H2,1-2H3,(H,20,22)
InChIKeyUYMRPIVFZQOCED-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.09
Rot. Bonds4

About 2-cyclopentyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-1-carboxamide

2-cyclopentyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 87035057) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID87035057
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name2-cyclopentyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-1-carboxamide
SMILESCNS(=O)(=O)c1cc(NC(=O)N2CCCC2C2CCCC2)ccc1C
InChIInChI=1S/C18H27N3O3S/c1-13-9-10-15(12-17(13)25(23,24)19-2)20-18(22)21-11-5-8-16(21)14-6-3-4-7-14/h9-10,12,14,16,19H,3-8,11H2,1-2H3,(H,20,22)
InChIKeyUYMRPIVFZQOCED-UHFFFAOYSA-N
XLogP3.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 78788592
2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 71939005
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119270677
5-(cyclopentylamino)-N,2-dimethylbenzenesulfonamide
CID 43717500
5-(cycloheptylamino)-N,2-dimethylbenzenesulfonamide
CID 43717499
(3aS,7aS)-N-(5,6-dimethylpyridazin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 128918379
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)benzoic acid
CID 65319992
N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 43233916
(3aR,7aR)-N-[5-(methylsulfamoyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 122150241
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 9107009
2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 9107157
N-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 43835525

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-cyclopentyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-1-carboxamide (CID 87035057) is 2-cyclopentyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-1-carboxamide is CNS(=O)(=O)c1cc(NC(=O)N2CCCC2C2CCCC2)ccc1C.
What is the InChIKey of 2-cyclopentyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is UYMRPIVFZQOCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-13-9-10-15(12-17(13)25(23,24)19-2)20-18(22)21-11-5-8-16(21)14-6-3-4-7-14/h9-10,12,14,16,19H,3-8,11H2,1-2H3,(H,20,22).
What are the key properties of 2-cyclopentyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-1-carboxamide?
2-cyclopentyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 87035057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).