4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide

C13H16N2O2S — CID 91792844

IUPAC4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
SMILESCSc1ccc(C(=O)NCC2CCC(=O)N2)cc1
InChIInChI=1S/C13H16N2O2S/c1-18-11-5-2-9(3-6-11)13(17)14-8-10-4-7-12(16)15-10/h2-3,5-6,10H,4,7-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyCSIKUYHRZGNMNQ-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.42
Rot. Bonds4

About 4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide

4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide (PubChem CID 91792844) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
PubChem CID91792844
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
SMILESCSc1ccc(C(=O)NCC2CCC(=O)N2)cc1
InChIInChI=1S/C13H16N2O2S/c1-18-11-5-2-9(3-6-11)13(17)14-8-10-4-7-12(16)15-10/h2-3,5-6,10H,4,7-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyCSIKUYHRZGNMNQ-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 110732273
4-(3-hydroxy-3-methylbutyl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzamide
CID 95869015
4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103873189
4-methyl-N-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]benzamide
CID 107529194
3,5-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103908657
N-[(4-chlorocyclohexyl)methyl]-4-methylsulfanylbenzamide
CID 106133906
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 120943236
N-[(4-bromocyclohexyl)methyl]-4-methylsulfanylbenzamide
CID 106134799
N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 110732294
2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 80711647
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 78870756
3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103827007

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide (CID 91792844) is 4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide is CSc1ccc(C(=O)NCC2CCC(=O)N2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
The InChIKey is CSIKUYHRZGNMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-18-11-5-2-9(3-6-11)13(17)14-8-10-4-7-12(16)15-10/h2-3,5-6,10H,4,7-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide has a molecular weight of 264.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 91792844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).