2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C15H17ClF3N3O2S — CID 8899380

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(CSc1ncc(C(F)(F)F)cc1Cl)NCCCN1CCCC1=O
InChIInChI=1S/C15H17ClF3N3O2S/c16-11-7-10(15(17,18)19)8-21-14(11)25-9-12(23)20-4-2-6-22-5-1-3-13(22)24/h7-8H,1-6,9H2,(H,20,23)
InChIKeyYTYJEVSQUZVNTJ-UHFFFAOYSA-N
MW395.83 g/mol
LogP2.97
Rot. Bonds7

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 8899380) has the molecular formula C15H17ClF3N3O2S and a molecular weight of 395.83 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID8899380
Molecular FormulaC15H17ClF3N3O2S
Molecular Weight395.83 g/mol
Exact Mass395.07
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(CSc1ncc(C(F)(F)F)cc1Cl)NCCCN1CCCC1=O
InChIInChI=1S/C15H17ClF3N3O2S/c16-11-7-10(15(17,18)19)8-21-14(11)25-9-12(23)20-4-2-6-22-5-1-3-13(22)24/h7-8H,1-6,9H2,(H,20,23)
InChIKeyYTYJEVSQUZVNTJ-UHFFFAOYSA-N
XLogP2.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.83
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 8899380) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is O=C(CSc1ncc(C(F)(F)F)cc1Cl)NCCCN1CCCC1=O.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is YTYJEVSQUZVNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3N3O2S/c16-11-7-10(15(17,18)19)8-21-14(11)25-9-12(23)20-4-2-6-22-5-1-3-13(22)24/h7-8H,1-6,9H2,(H,20,23).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 395.83 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 8899380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).