N-(4-fluorophenyl)-2-[(2-oxo-1H-1,7-naphthyridin-4-yl)sulfanyl]acetamide

C16H12FN3O2S — CID 167992537

IUPACN-(4-fluorophenyl)-2-[(2-oxo-1H-1,7-naphthyridin-4-yl)sulfanyl]acetamide
SMILESO=C(CSc1cc(=O)[nH]c2cnccc12)Nc1ccc(F)cc1
InChIInChI=1S/C16H12FN3O2S/c17-10-1-3-11(4-2-10)19-16(22)9-23-14-7-15(21)20-13-8-18-6-5-12(13)14/h1-8H,9H2,(H,19,22)(H,20,21)
InChIKeyQLLQRMBNLYWQAY-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.79
Rot. Bonds4

About N-(4-fluorophenyl)-2-[(2-oxo-1H-1,7-naphthyridin-4-yl)sulfanyl]acetamide

N-(4-fluorophenyl)-2-[(2-oxo-1H-1,7-naphthyridin-4-yl)sulfanyl]acetamide (PubChem CID 167992537) has the molecular formula C16H12FN3O2S and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(2-oxo-1H-1,7-naphthyridin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(2-oxo-1H-1,7-naphthyridin-4-yl)sulfanyl]acetamide
PubChem CID167992537
Molecular FormulaC16H12FN3O2S
Molecular Weight329.36 g/mol
Exact Mass329.06
IUPAC NameN-(4-fluorophenyl)-2-[(2-oxo-1H-1,7-naphthyridin-4-yl)sulfanyl]acetamide
SMILESO=C(CSc1cc(=O)[nH]c2cnccc12)Nc1ccc(F)cc1
InChIInChI=1S/C16H12FN3O2S/c17-10-1-3-11(4-2-10)19-16(22)9-23-14-7-15(21)20-13-8-18-6-5-12(13)14/h1-8H,9H2,(H,19,22)(H,20,21)
InChIKeyQLLQRMBNLYWQAY-UHFFFAOYSA-N
XLogP2.79
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 7183853
2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 20890482
N-(4-fluorophenyl)-2-(2-oxopyrazin-1-yl)acetamide
CID 112753379
N-(4-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide
CID 20890477
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 135399372
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 79533282
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135412196
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-difluorophenyl)acetamide
CID 43299886
2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 135561611

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(2-oxo-1H-1,7-naphthyridin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(2-oxo-1H-1,7-naphthyridin-4-yl)sulfanyl]acetamide (CID 167992537) is N-(4-fluorophenyl)-2-[(2-oxo-1H-1,7-naphthyridin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(2-oxo-1H-1,7-naphthyridin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(2-oxo-1H-1,7-naphthyridin-4-yl)sulfanyl]acetamide is O=C(CSc1cc(=O)[nH]c2cnccc12)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(2-oxo-1H-1,7-naphthyridin-4-yl)sulfanyl]acetamide?
The InChIKey is QLLQRMBNLYWQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2S/c17-10-1-3-11(4-2-10)19-16(22)9-23-14-7-15(21)20-13-8-18-6-5-12(13)14/h1-8H,9H2,(H,19,22)(H,20,21).
What are the key properties of N-(4-fluorophenyl)-2-[(2-oxo-1H-1,7-naphthyridin-4-yl)sulfanyl]acetamide?
N-(4-fluorophenyl)-2-[(2-oxo-1H-1,7-naphthyridin-4-yl)sulfanyl]acetamide has a molecular weight of 329.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(2-oxo-1H-1,7-naphthyridin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 167992537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).