(2R)-1-N-(4-methylsulfonylphenyl)pyrrolidine-1,2-dicarboxamide

C13H17N3O4S — CID 118772011

IUPAC(2R)-1-N-(4-methylsulfonylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2C(N)=O)cc1
InChIInChI=1S/C13H17N3O4S/c1-21(19,20)10-6-4-9(5-7-10)15-13(18)16-8-2-3-11(16)12(14)17/h4-7,11H,2-3,8H2,1H3,(H2,14,17)(H,15,18)/t11-/m1/s1
InChIKeyGMOHNFDFNBDCCQ-LLVKDONJSA-N
MW311.36 g/mol
LogP0.57
Rot. Bonds3

About (2R)-1-N-(4-methylsulfonylphenyl)pyrrolidine-1,2-dicarboxamide

(2R)-1-N-(4-methylsulfonylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 118772011) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is (2R)-1-N-(4-methylsulfonylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-(4-methylsulfonylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID118772011
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name(2R)-1-N-(4-methylsulfonylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2C(N)=O)cc1
InChIInChI=1S/C13H17N3O4S/c1-21(19,20)10-6-4-9(5-7-10)15-13(18)16-8-2-3-11(16)12(14)17/h4-7,11H,2-3,8H2,1H3,(H2,14,17)(H,15,18)/t11-/m1/s1
InChIKeyGMOHNFDFNBDCCQ-LLVKDONJSA-N
XLogP0.57
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 110473498
2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 71939005
1-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 150068062
(2R)-1-[1-(4-methylsulfonylphenyl)cyclobutanecarbonyl]pyrrolidine-2-carboxamide
CID 118765159
1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide
CID 110473581
2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 86987525
(2R)-1-[(4-ethylphenyl)carbamothioyl]pyrrolidine-2-carboxamide
CID 8680102
1-(4-methylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 16827882
N-(4-tert-butylsulfonylphenyl)-2-methylpyrrolidine-1-carboxamide
CID 86805735
(2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55149678
(2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 95051495
N-[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]phenyl]-4-methylsulfonylbenzamide
CID 11553986

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(4-methylsulfonylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-(4-methylsulfonylphenyl)pyrrolidine-1,2-dicarboxamide (CID 118772011) is (2R)-1-N-(4-methylsulfonylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-(4-methylsulfonylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-(4-methylsulfonylphenyl)pyrrolidine-1,2-dicarboxamide is CS(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2C(N)=O)cc1.
What is the InChIKey of (2R)-1-N-(4-methylsulfonylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is GMOHNFDFNBDCCQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-21(19,20)10-6-4-9(5-7-10)15-13(18)16-8-2-3-11(16)12(14)17/h4-7,11H,2-3,8H2,1H3,(H2,14,17)(H,15,18)/t11-/m1/s1.
What are the key properties of (2R)-1-N-(4-methylsulfonylphenyl)pyrrolidine-1,2-dicarboxamide?
(2R)-1-N-(4-methylsulfonylphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 311.36 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-(4-methylsulfonylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 118772011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).