2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

C14H21N3O3S — CID 79378122

IUPAC2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)C2CCNC2C)c1
InChIInChI=1S/C14H21N3O3S/c1-9-4-5-11(21(19,20)15-3)8-13(9)17-14(18)12-6-7-16-10(12)2/h4-5,8,10,12,15-16H,6-7H2,1-3H3,(H,17,18)
InChIKeyCTSXDYHMONLWMP-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.84
Rot. Bonds4

About 2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 79378122) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID79378122
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)C2CCNC2C)c1
InChIInChI=1S/C14H21N3O3S/c1-9-4-5-11(21(19,20)15-3)8-13(9)17-14(18)12-6-7-16-10(12)2/h4-5,8,10,12,15-16H,6-7H2,1-3H3,(H,17,18)
InChIKeyCTSXDYHMONLWMP-UHFFFAOYSA-N
XLogP0.84
TPSA87.30 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 ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 79389311
(2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 104912791
N-(2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79383626
N-[2-methyl-5-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982712
3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 66031082
N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79388995
N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79383629
N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382669
2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 79382496
2-methyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide
CID 79382754
2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 63374698
N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide
CID 43703421

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (CID 79378122) is 2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is CNS(=O)(=O)c1ccc(C)c(NC(=O)C2CCNC2C)c1.
What is the InChIKey of 2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is CTSXDYHMONLWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-9-4-5-11(21(19,20)15-3)8-13(9)17-14(18)12-6-7-16-10(12)2/h4-5,8,10,12,15-16H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 79378122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).