2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide

C14H11ClF3N3O3S — CID 2099245

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CSc1ncc(C(F)(F)F)cc1Cl)NC(=O)NCc1ccco1
InChIInChI=1S/C14H11ClF3N3O3S/c15-10-4-8(14(16,17)18)5-19-12(10)25-7-11(22)21-13(23)20-6-9-2-1-3-24-9/h1-5H,6-7H2,(H2,20,21,22,23)
InChIKeyRSLKSMVILQOSIX-UHFFFAOYSA-N
MW393.77 g/mol
LogP3.46
Rot. Bonds5

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 2099245) has the molecular formula C14H11ClF3N3O3S and a molecular weight of 393.77 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID2099245
Molecular FormulaC14H11ClF3N3O3S
Molecular Weight393.77 g/mol
Exact Mass393.02
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CSc1ncc(C(F)(F)F)cc1Cl)NC(=O)NCc1ccco1
InChIInChI=1S/C14H11ClF3N3O3S/c15-10-4-8(14(16,17)18)5-19-12(10)25-7-11(22)21-13(23)20-6-9-2-1-3-24-9/h1-5H,6-7H2,(H2,20,21,22,23)
InChIKeyRSLKSMVILQOSIX-UHFFFAOYSA-N
XLogP3.46
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.77
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 2099245) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide is O=C(CSc1ncc(C(F)(F)F)cc1Cl)NC(=O)NCc1ccco1.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is RSLKSMVILQOSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3O3S/c15-10-4-8(14(16,17)18)5-19-12(10)25-7-11(22)21-13(23)20-6-9-2-1-3-24-9/h1-5H,6-7H2,(H2,20,21,22,23).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 393.77 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 2099245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).