N-(2,3-dimethyl-5-sulfamoylphenyl)-3-methylpyrrolidine-3-carboxamide

C14H21N3O3S — CID 63139281

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)C2(C)CCNC2)c1C
InChIInChI=1S/C14H21N3O3S/c1-9-6-11(21(15,19)20)7-12(10(9)2)17-13(18)14(3)4-5-16-8-14/h6-7,16H,4-5,8H2,1-3H3,(H,17,18)(H2,15,19,20)
InChIKeyOREUUHMACNUBFC-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.89
Rot. Bonds3

About N-(2,3-dimethyl-5-sulfamoylphenyl)-3-methylpyrrolidine-3-carboxamide

N-(2,3-dimethyl-5-sulfamoylphenyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 63139281) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID63139281
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)C2(C)CCNC2)c1C
InChIInChI=1S/C14H21N3O3S/c1-9-6-11(21(15,19)20)7-12(10(9)2)17-13(18)14(3)4-5-16-8-14/h6-7,16H,4-5,8H2,1-3H3,(H,17,18)(H2,15,19,20)
InChIKeyOREUUHMACNUBFC-UHFFFAOYSA-N
XLogP0.89
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethyl-5-sulfamoylphenyl)-1-methylcyclopentane-1-carboxamide
CID 78914140
N-(2-hydroxy-5-methylsulfonylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 81433175
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
N-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 104723664
3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670460
N-(5-cyano-3-fluoro-2-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55166872
N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121700
N-(2-fluoro-5-methylsulfonylphenyl)-3-methylpiperidine-3-carboxamide
CID 63130876
N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141111
N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63138625
N-(2-fluoro-5-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106828727
N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119704619

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-3-methylpyrrolidine-3-carboxamide (CID 63139281) is N-(2,3-dimethyl-5-sulfamoylphenyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)-3-methylpyrrolidine-3-carboxamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)C2(C)CCNC2)c1C.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is OREUUHMACNUBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-9-6-11(21(15,19)20)7-12(10(9)2)17-13(18)14(3)4-5-16-8-14/h6-7,16H,4-5,8H2,1-3H3,(H,17,18)(H2,15,19,20).
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)-3-methylpyrrolidine-3-carboxamide?
N-(2,3-dimethyl-5-sulfamoylphenyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63139281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).