2-(2-chlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C15H19ClN2O2S — CID 35498934

IUPAC2-(2-chlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(CSc1ccccc1Cl)NCCCN1CCCC1=O
InChIInChI=1S/C15H19ClN2O2S/c16-12-5-1-2-6-13(12)21-11-14(19)17-8-4-10-18-9-3-7-15(18)20/h1-2,5-6H,3-4,7-11H2,(H,17,19)
InChIKeyYXHHPTBKQOGQKV-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.56
Rot. Bonds7

About 2-(2-chlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-(2-chlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 35498934) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID35498934
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(CSc1ccccc1Cl)NCCCN1CCCC1=O
InChIInChI=1S/C15H19ClN2O2S/c16-12-5-1-2-6-13(12)21-11-14(19)17-8-4-10-18-9-3-7-15(18)20/h1-2,5-6H,3-4,7-11H2,(H,17,19)
InChIKeyYXHHPTBKQOGQKV-UHFFFAOYSA-N
XLogP2.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.56
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 35498934) is 2-(2-chlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is O=C(CSc1ccccc1Cl)NCCCN1CCCC1=O.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is YXHHPTBKQOGQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c16-12-5-1-2-6-13(12)21-11-14(19)17-8-4-10-18-9-3-7-15(18)20/h1-2,5-6H,3-4,7-11H2,(H,17,19).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-(2-chlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 326.85 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 35498934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).