N-[(3,5-difluorophenyl)methyl]-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide

C17H14F2N2O2S — CID 167648829

IUPACN-[(3,5-difluorophenyl)methyl]-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide
SMILESO=C(CC1Sc2ncccc2CC1=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C17H14F2N2O2S/c18-12-4-10(5-13(19)7-12)9-21-16(23)8-15-14(22)6-11-2-1-3-20-17(11)24-15/h1-5,7,15H,6,8-9H2,(H,21,23)
InChIKeyQGUISPNHAKNORO-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.65
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide

N-[(3,5-difluorophenyl)methyl]-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide (PubChem CID 167648829) has the molecular formula C17H14F2N2O2S and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide
PubChem CID167648829
Molecular FormulaC17H14F2N2O2S
Molecular Weight348.37 g/mol
Exact Mass348.07
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide
SMILESO=C(CC1Sc2ncccc2CC1=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C17H14F2N2O2S/c18-12-4-10(5-13(19)7-12)9-21-16(23)8-15-14(22)6-11-2-1-3-20-17(11)24-15/h1-5,7,15H,6,8-9H2,(H,21,23)
InChIKeyQGUISPNHAKNORO-UHFFFAOYSA-N
XLogP2.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-difluorophenyl)methyl]-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 167637271
N-(cyclohexylmethyl)-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide
CID 167555825
N-[(4,4-difluorocyclohexyl)methyl]-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide
CID 167589020
N-[(4-fluorophenyl)methyl]-2-(6-oxo-7,8-dihydro-5H-quinolin-7-yl)acetamide
CID 167557998
N-[(1-fluorocyclohexyl)methyl]-2-(2-oxo-1H-pyrido[2,3-b][1,4]thiazin-3-yl)acetamide
CID 155298451
N-[(2R,3R,6S)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-2-carboxamide
CID 54644263
N-[(4-fluorophenyl)methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 41074229
N-[(3-bromo-5-fluorophenyl)methyl]-2-quinolin-8-ylacetamide
CID 55978468
N-benzyl-2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]acetamide
CID 1352347
1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108898501
N-[(5-methylfuran-2-yl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
CID 53148522
(1R)-N-[(3,5-difluorophenyl)methyl]-3-oxo-2-propyl-1,4-dihydroisoquinoline-1-carboxamide
CID 95096226

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide (CID 167648829) is N-[(3,5-difluorophenyl)methyl]-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide is O=C(CC1Sc2ncccc2CC1=O)NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide?
The InChIKey is QGUISPNHAKNORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2S/c18-12-4-10(5-13(19)7-12)9-21-16(23)8-15-14(22)6-11-2-1-3-20-17(11)24-15/h1-5,7,15H,6,8-9H2,(H,21,23).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide?
N-[(3,5-difluorophenyl)methyl]-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide has a molecular weight of 348.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-(3-oxo-4H-thiopyrano[2,3-b]pyridin-2-yl)acetamide is sourced from PubChem (CID 167648829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).