2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide

C15H20N2O2S — CID 107034729

IUPAC2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C15H20N2O2S/c1-11-4-5-12(20)10-13(11)15(19)16-7-6-14(18)17-8-2-3-9-17/h4-5,10,20H,2-3,6-9H2,1H3,(H,16,19)
InChIKeyHEWDVXZNRSWORR-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.03
Rot. Bonds4

About 2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide

2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide (PubChem CID 107034729) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide
PubChem CID107034729
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C15H20N2O2S/c1-11-4-5-12(20)10-13(11)15(19)16-7-6-14(18)17-8-2-3-9-17/h4-5,10,20H,2-3,6-9H2,1H3,(H,16,19)
InChIKeyHEWDVXZNRSWORR-UHFFFAOYSA-N
XLogP2.03
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)-5-sulfanylbenzamide
CID 107034736
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide
CID 107034732
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide
CID 107029176
N-[3-(azepan-1-yl)-3-oxopropyl]-2,3-dihydroxy-4-methylbenzamide
CID 167804588
2-methyl-N-(2-piperazin-1-ylethyl)-5-sulfanylbenzamide
CID 107024052
2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 51118177
N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107019480
2,5-dihydroxy-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 107723658
2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 46598347
5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 115683330
5-fluoro-2-hydroxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 115673246

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide?
The IUPAC name of 2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide (CID 107034729) is 2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide?
The canonical SMILES for 2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide is Cc1ccc(S)cc1C(=O)NCCC(=O)N1CCCC1.
What is the InChIKey of 2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide?
The InChIKey is HEWDVXZNRSWORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11-4-5-12(20)10-13(11)15(19)16-7-6-14(18)17-8-2-3-9-17/h4-5,10,20H,2-3,6-9H2,1H3,(H,16,19).
What are the key properties of 2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide?
2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide has a molecular weight of 292.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide is sourced from PubChem (CID 107034729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).