N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]furan-2-carboxamide

C13H8ClF3N2O3S — CID 17477564

IUPACN-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]furan-2-carboxamide
SMILESO=C(CSc1ncc(C(F)(F)F)cc1Cl)NC(=O)c1ccco1
InChIInChI=1S/C13H8ClF3N2O3S/c14-8-4-7(13(15,16)17)5-18-12(8)23-6-10(20)19-11(21)9-2-1-3-22-9/h1-5H,6H2,(H,19,20,21)
InChIKeyYOHMTBZXPVWABC-UHFFFAOYSA-N
MW364.73 g/mol
LogP3.40
Rot. Bonds4

About N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]furan-2-carboxamide

N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]furan-2-carboxamide (PubChem CID 17477564) has the molecular formula C13H8ClF3N2O3S and a molecular weight of 364.73 g/mol. Its IUPAC name is N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]furan-2-carboxamide
PubChem CID17477564
Molecular FormulaC13H8ClF3N2O3S
Molecular Weight364.73 g/mol
Exact Mass363.99
IUPAC NameN-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]furan-2-carboxamide
SMILESO=C(CSc1ncc(C(F)(F)F)cc1Cl)NC(=O)c1ccco1
InChIInChI=1S/C13H8ClF3N2O3S/c14-8-4-7(13(15,16)17)5-18-12(8)23-6-10(20)19-11(21)9-2-1-3-22-9/h1-5H,6H2,(H,19,20,21)
InChIKeyYOHMTBZXPVWABC-UHFFFAOYSA-N
XLogP3.40
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.73
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]furan-2-carboxamide (CID 17477564) is N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]furan-2-carboxamide is O=C(CSc1ncc(C(F)(F)F)cc1Cl)NC(=O)c1ccco1.
What is the InChIKey of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]furan-2-carboxamide?
The InChIKey is YOHMTBZXPVWABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O3S/c14-8-4-7(13(15,16)17)5-18-12(8)23-6-10(20)19-11(21)9-2-1-3-22-9/h1-5H,6H2,(H,19,20,21).
What are the key properties of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]furan-2-carboxamide?
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]furan-2-carboxamide has a molecular weight of 364.73 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]furan-2-carboxamide is sourced from PubChem (CID 17477564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).