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

C13H10ClF3N2O2S — CID 2405945

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1ncc(C(F)(F)F)cc1Cl)NCc1ccco1
InChIInChI=1S/C13H10ClF3N2O2S/c14-10-4-8(13(15,16)17)5-19-12(10)22-7-11(20)18-6-9-2-1-3-21-9/h1-5H,6-7H2,(H,18,20)
InChIKeyIJNPPOKZDDPRAS-UHFFFAOYSA-N
MW350.75 g/mol
LogP3.76
Rot. Bonds5

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

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 2405945) has the molecular formula C13H10ClF3N2O2S and a molecular weight of 350.75 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID2405945
Molecular FormulaC13H10ClF3N2O2S
Molecular Weight350.75 g/mol
Exact Mass350.01
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1ncc(C(F)(F)F)cc1Cl)NCc1ccco1
InChIInChI=1S/C13H10ClF3N2O2S/c14-10-4-8(13(15,16)17)5-19-12(10)22-7-11(20)18-6-9-2-1-3-21-9/h1-5H,6-7H2,(H,18,20)
InChIKeyIJNPPOKZDDPRAS-UHFFFAOYSA-N
XLogP3.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.75
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 2405945) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is O=C(CSc1ncc(C(F)(F)F)cc1Cl)NCc1ccco1.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is IJNPPOKZDDPRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O2S/c14-10-4-8(13(15,16)17)5-19-12(10)22-7-11(20)18-6-9-2-1-3-21-9/h1-5H,6-7H2,(H,18,20).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 350.75 g/mol, XLogP of 3.76, 5 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-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 2405945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).