(2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide

C13H19N3O3S — CID 103795165

IUPAC(2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2)cc1
InChIInChI=1S/C13H19N3O3S/c1-2-15-20(18,19)11-7-5-10(6-8-11)16-13(17)12-4-3-9-14-12/h5-8,12,14-15H,2-4,9H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyDKVDERZBWZGMKQ-GFCCVEGCSA-N
MW297.38 g/mol
LogP0.68
Rot. Bonds5

About (2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide

(2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 103795165) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is (2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID103795165
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name(2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2)cc1
InChIInChI=1S/C13H19N3O3S/c1-2-15-20(18,19)11-7-5-10(6-8-11)16-13(17)12-4-3-9-14-12/h5-8,12,14-15H,2-4,9H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyDKVDERZBWZGMKQ-GFCCVEGCSA-N
XLogP0.68
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-(ethylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103808975
(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 61178611
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide
CID 119328480
(2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide
CID 104900564
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
(2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119284338
(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 103795041
ethyl N-[4-[[(2S)-pyrrolidine-2-carbonyl]amino]phenyl]carbamate
CID 61179472
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide (CID 103795165) is (2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide is CCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2)cc1.
What is the InChIKey of (2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is DKVDERZBWZGMKQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-15-20(18,19)11-7-5-10(6-8-11)16-13(17)12-4-3-9-14-12/h5-8,12,14-15H,2-4,9H2,1H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide?
(2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 103795165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).