N-(furan-2-ylmethyl)-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxamide

C20H16F3N3O3S — CID 20969244

IUPACN-(furan-2-ylmethyl)-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxamide
SMILESO=C(CSc1ncccc1C(=O)NCc1ccco1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H16F3N3O3S/c21-20(22,23)15-7-1-2-8-16(15)26-17(27)12-30-19-14(6-3-9-24-19)18(28)25-11-13-5-4-10-29-13/h1-10H,11-12H2,(H,25,28)(H,26,27)
InChIKeyBIUCKKFTSUEBMQ-UHFFFAOYSA-N
MW435.43 g/mol
LogP4.35
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxamide

N-(furan-2-ylmethyl)-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxamide (PubChem CID 20969244) has the molecular formula C20H16F3N3O3S and a molecular weight of 435.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxamide
PubChem CID20969244
Molecular FormulaC20H16F3N3O3S
Molecular Weight435.43 g/mol
Exact Mass435.09
IUPAC NameN-(furan-2-ylmethyl)-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxamide
SMILESO=C(CSc1ncccc1C(=O)NCc1ccco1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H16F3N3O3S/c21-20(22,23)15-7-1-2-8-16(15)26-17(27)12-30-19-14(6-3-9-24-19)18(28)25-11-13-5-4-10-29-13/h1-10H,11-12H2,(H,25,28)(H,26,27)
InChIKeyBIUCKKFTSUEBMQ-UHFFFAOYSA-N
XLogP4.35
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxamide (CID 20969244) is N-(furan-2-ylmethyl)-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxamide is O=C(CSc1ncccc1C(=O)NCc1ccco1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxamide?
The InChIKey is BIUCKKFTSUEBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3S/c21-20(22,23)15-7-1-2-8-16(15)26-17(27)12-30-19-14(6-3-9-24-19)18(28)25-11-13-5-4-10-29-13/h1-10H,11-12H2,(H,25,28)(H,26,27).
What are the key properties of N-(furan-2-ylmethyl)-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxamide?
N-(furan-2-ylmethyl)-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxamide has a molecular weight of 435.43 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 20969244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).