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

C13H17N3O4S — CID 34687941

IUPAC(2R)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)[C@H]2CCC(=O)N2)c1
InChIInChI=1S/C13H17N3O4S/c1-14-21(19,20)10-4-2-3-9(7-10)8-15-13(18)11-5-6-12(17)16-11/h2-4,7,11,14H,5-6,8H2,1H3,(H,15,18)(H,16,17)/t11-/m1/s1
InChIKeyXPTOZHKRDIUPHG-LLVKDONJSA-N
MW311.36 g/mol
LogP-0.51
Rot. Bonds5

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

(2R)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 34687941) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is (2R)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID34687941
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name(2R)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)[C@H]2CCC(=O)N2)c1
InChIInChI=1S/C13H17N3O4S/c1-14-21(19,20)10-4-2-3-9(7-10)8-15-13(18)11-5-6-12(17)16-11/h2-4,7,11,14H,5-6,8H2,1H3,(H,15,18)(H,16,17)/t11-/m1/s1
InChIKeyXPTOZHKRDIUPHG-LLVKDONJSA-N
XLogP-0.51
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76906010
N-[[3-(methylsulfamoyl)phenyl]methyl]azepane-1-carboxamide
CID 51084559
2-methyl-1-[[3-(methylsulfamoyl)phenyl]methyl]guanidine
CID 110915238
N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793335
1-(2-ethylphenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55656474
N-[[3-(methylsulfamoyl)phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 71889441
N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110471718
N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793891
(2S)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide
CID 94031216
(2R)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide
CID 94031215
N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793549
2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
CID 34640391

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide (CID 34687941) is (2R)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide is CNS(=O)(=O)c1cccc(CNC(=O)[C@H]2CCC(=O)N2)c1.
What is the InChIKey of (2R)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is XPTOZHKRDIUPHG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-14-21(19,20)10-4-2-3-9(7-10)8-15-13(18)11-5-6-12(17)16-11/h2-4,7,11,14H,5-6,8H2,1H3,(H,15,18)(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 311.36 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 34687941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).