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

C14H12ClF3N2O2S — CID 25363439

IUPAC(2R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)propanamide
SMILESC[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)NCc1ccco1
InChIInChI=1S/C14H12ClF3N2O2S/c1-8(12(21)19-7-10-3-2-4-22-10)23-13-11(15)5-9(6-20-13)14(16,17)18/h2-6,8H,7H2,1H3,(H,19,21)/t8-/m1/s1
InChIKeyLXLJWQCSDFHQNX-MRVPVSSYSA-N
MW364.78 g/mol
LogP4.14
Rot. Bonds5

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

(2R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 25363439) has the molecular formula C14H12ClF3N2O2S and a molecular weight of 364.78 g/mol. Its IUPAC name is (2R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)propanamide
PubChem CID25363439
Molecular FormulaC14H12ClF3N2O2S
Molecular Weight364.78 g/mol
Exact Mass364.03
IUPAC Name(2R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)propanamide
SMILESC[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)NCc1ccco1
InChIInChI=1S/C14H12ClF3N2O2S/c1-8(12(21)19-7-10-3-2-4-22-10)23-13-11(15)5-9(6-20-13)14(16,17)18/h2-6,8H,7H2,1H3,(H,19,21)/t8-/m1/s1
InChIKeyLXLJWQCSDFHQNX-MRVPVSSYSA-N
XLogP4.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.78
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of (2R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)propanamide (CID 25363439) is (2R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)propanamide is C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)NCc1ccco1.
What is the InChIKey of (2R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is LXLJWQCSDFHQNX-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O2S/c1-8(12(21)19-7-10-3-2-4-22-10)23-13-11(15)5-9(6-20-13)14(16,17)18/h2-6,8H,7H2,1H3,(H,19,21)/t8-/m1/s1.
What are the key properties of (2R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)propanamide?
(2R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 364.78 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 25363439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).