4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

C15H20N2O3S — CID 86983246

IUPAC4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCS(=O)c1ccc(C(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C15H20N2O3S/c1-21(20)13-7-5-12(6-8-13)15(19)16-9-3-11-17-10-2-4-14(17)18/h5-8H,2-4,9-11H2,1H3,(H,16,19)
InChIKeySDDMQCSZOXLNMO-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.17
Rot. Bonds6

About 4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 86983246) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
PubChem CID86983246
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCS(=O)c1ccc(C(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C15H20N2O3S/c1-21(20)13-7-5-12(6-8-13)15(19)16-9-3-11-17-10-2-4-14(17)18/h5-8H,2-4,9-11H2,1H3,(H,16,19)
InChIKeySDDMQCSZOXLNMO-UHFFFAOYSA-N
XLogP1.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 18161251
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519
3,4-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802534
4-cyano-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 39959545
3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 103734648
6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 143798014
1-oxido-N-[3-(2-oxoazepan-1-yl)propyl]pyridin-1-ium-4-carboxamide
CID 134025902
3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 30482762
N-butyl-4-[[[ethylamino-[3-(2-oxopyrrolidin-1-yl)propylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111146950
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide
CID 2225281

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of 4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 86983246) is 4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for 4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is CS(=O)c1ccc(C(=O)NCCCN2CCCC2=O)cc1.
What is the InChIKey of 4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The InChIKey is SDDMQCSZOXLNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-21(20)13-7-5-12(6-8-13)15(19)16-9-3-11-17-10-2-4-14(17)18/h5-8H,2-4,9-11H2,1H3,(H,16,19).
What are the key properties of 4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 308.40 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 86983246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).