(2R)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide

C13H17N3O3S — CID 125435841

IUPAC(2R)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)[C@H]2C=CCN2)cc1
InChIInChI=1S/C13H17N3O3S/c14-20(18,19)11-5-3-10(4-6-11)7-9-16-13(17)12-2-1-8-15-12/h1-6,12,15H,7-9H2,(H,16,17)(H2,14,18,19)/t12-/m1/s1
InChIKeyXZLBESAUTHVXDQ-GFCCVEGCSA-N
MW295.36 g/mol
LogP-0.48
Rot. Bonds5

About (2R)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide

(2R)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 125435841) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is (2R)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID125435841
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name(2R)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)[C@H]2C=CCN2)cc1
InChIInChI=1S/C13H17N3O3S/c14-20(18,19)11-5-3-10(4-6-11)7-9-16-13(17)12-2-1-8-15-12/h1-6,12,15H,7-9H2,(H,16,17)(H2,14,18,19)/t12-/m1/s1
InChIKeyXZLBESAUTHVXDQ-GFCCVEGCSA-N
XLogP-0.48
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64766938
(2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125439858
(2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125439859
N-[3-(4-propan-2-ylphenyl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 131930368
trans-(1S,3S)-2,2-dimethyl-3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95390266
2-piperidin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide;hydrochloride
CID 119673755
(2R,5R)-5-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 154569424
3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide
CID 81425700
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
2-(4-sulfamoylphenyl)ethylcarbamodithioic acid
CID 82593514
2-(oxetan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 84575707
N-[3-(4-sulfamoylphenyl)propyl]cyclobutanecarboxamide
CID 60905854

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of (2R)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 125435841) is (2R)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2C=CCN2)cc1.
What is the InChIKey of (2R)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is XZLBESAUTHVXDQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17N3O3S/c14-20(18,19)11-5-3-10(4-6-11)7-9-16-13(17)12-2-1-8-15-12/h1-6,12,15H,7-9H2,(H,16,17)(H2,14,18,19)/t12-/m1/s1.
What are the key properties of (2R)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide?
(2R)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 295.36 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-sulfamoylphenyl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 125435841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).