3-propan-2-yl-N-(2-sulfamoylphenyl)pyrrolidine-3-carboxamide

C14H21N3O3S — CID 106980254

IUPAC3-propan-2-yl-N-(2-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)Nc2ccccc2S(N)(=O)=O)CCNC1
InChIInChI=1S/C14H21N3O3S/c1-10(2)14(7-8-16-9-14)13(18)17-11-5-3-4-6-12(11)21(15,19)20/h3-6,10,16H,7-9H2,1-2H3,(H,17,18)(H2,15,19,20)
InChIKeyZRUSMZTVFJNJSF-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.91
Rot. Bonds4

About 3-propan-2-yl-N-(2-sulfamoylphenyl)pyrrolidine-3-carboxamide

3-propan-2-yl-N-(2-sulfamoylphenyl)pyrrolidine-3-carboxamide (PubChem CID 106980254) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-propan-2-yl-N-(2-sulfamoylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-propan-2-yl-N-(2-sulfamoylphenyl)pyrrolidine-3-carboxamide
PubChem CID106980254
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name3-propan-2-yl-N-(2-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)Nc2ccccc2S(N)(=O)=O)CCNC1
InChIInChI=1S/C14H21N3O3S/c1-10(2)14(7-8-16-9-14)13(18)17-11-5-3-4-6-12(11)21(15,19)20/h3-6,10,16H,7-9H2,1-2H3,(H,17,18)(H2,15,19,20)
InChIKeyZRUSMZTVFJNJSF-UHFFFAOYSA-N
XLogP0.91
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980755
N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979918
N-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980005
N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979608
N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979455
N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979554
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
N-(2-chloro-5-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107528499
N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979641
4-methyl-3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 106979941
N-(2-hydroxy-5-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107744568
3-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrolidine-3-carboxamide
CID 106979653

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-(2-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-propan-2-yl-N-(2-sulfamoylphenyl)pyrrolidine-3-carboxamide (CID 106980254) is 3-propan-2-yl-N-(2-sulfamoylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-propan-2-yl-N-(2-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-propan-2-yl-N-(2-sulfamoylphenyl)pyrrolidine-3-carboxamide is CC(C)C1(C(=O)Nc2ccccc2S(N)(=O)=O)CCNC1.
What is the InChIKey of 3-propan-2-yl-N-(2-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ZRUSMZTVFJNJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10(2)14(7-8-16-9-14)13(18)17-11-5-3-4-6-12(11)21(15,19)20/h3-6,10,16H,7-9H2,1-2H3,(H,17,18)(H2,15,19,20).
What are the key properties of 3-propan-2-yl-N-(2-sulfamoylphenyl)pyrrolidine-3-carboxamide?
3-propan-2-yl-N-(2-sulfamoylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-(2-sulfamoylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106980254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).