N-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C13H16N2O2S — CID 110475894

IUPACN-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCSc1ccccc1CNC(=O)C1CCC(=O)N1
InChIInChI=1S/C13H16N2O2S/c1-18-11-5-3-2-4-9(11)8-14-13(17)10-6-7-12(16)15-10/h2-5,10H,6-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyZNHRBSGDXQVHQD-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.30
Rot. Bonds4

About N-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

N-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110475894) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110475894
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCSc1ccccc1CNC(=O)C1CCC(=O)N1
InChIInChI=1S/C13H16N2O2S/c1-18-11-5-3-2-4-9(11)8-14-13(17)10-6-7-12(16)15-10/h2-5,10H,6-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyZNHRBSGDXQVHQD-UHFFFAOYSA-N
XLogP1.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110689662
(2R)-N-[[2-(4-methylphenoxy)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95346618
N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110445215
(2R)-5-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 97079995
methyl N-[(2-methylsulfanylphenyl)methyl]carbamate
CID 110477809
N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110663932
(2S)-5-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 25288592
(2S)-N-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 132530671
N-[2-(2-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide
CID 110445241
N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793335
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794314
N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110471718

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 110475894) is N-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is CSc1ccccc1CNC(=O)C1CCC(=O)N1.
What is the InChIKey of N-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ZNHRBSGDXQVHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-18-11-5-3-2-4-9(11)8-14-13(17)10-6-7-12(16)15-10/h2-5,10H,6-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110475894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).