2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N-methylacetamide

C24H19F3N4O2S — CID 20790465

IUPAC2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N-methylacetamide
SMILESCNC(=O)CSc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C24H19F3N4O2S/c1-28-20(33)14-34-21-12-17(24(25,26)27)22-18(32)13-19(29-15-8-4-2-5-9-15)31(23(22)30-21)16-10-6-3-7-11-16/h2-13,29H,14H2,1H3,(H,28,33)
InChIKeyOGKQYEPTGAOFJX-UHFFFAOYSA-N
MW484.50 g/mol
LogP4.99
Rot. Bonds6

About 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N-methylacetamide

2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N-methylacetamide (PubChem CID 20790465) has the molecular formula C24H19F3N4O2S and a molecular weight of 484.50 g/mol. Its IUPAC name is 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N-methylacetamide
PubChem CID20790465
Molecular FormulaC24H19F3N4O2S
Molecular Weight484.50 g/mol
Exact Mass484.12
IUPAC Name2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N-methylacetamide
SMILESCNC(=O)CSc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C24H19F3N4O2S/c1-28-20(33)14-34-21-12-17(24(25,26)27)22-18(32)13-19(29-15-8-4-2-5-9-15)31(23(22)30-21)16-10-6-3-7-11-16/h2-13,29H,14H2,1H3,(H,28,33)
InChIKeyOGKQYEPTGAOFJX-UHFFFAOYSA-N
XLogP4.99
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N-methylacetamide with MolForge

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Related Compounds

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2-({3-benzyl-4-oxo-3H,4H-pyrido[2,3-d]pyrimidin-2-yl}sulfanyl)-N-(4-fluorophenyl)butanamide
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N-(4-Fluorophenyl)-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-pyrido[2,3-D]pyrimidin-2-YL}sulfanyl)butanamide
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2-Anilino-7-(2-methylpropylsulfonyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
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2-Anilino-7-(2-methoxyethylamino)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
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Frequently Asked Questions

What is the IUPAC name of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N-methylacetamide?
The IUPAC name of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N-methylacetamide (CID 20790465) is 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N-methylacetamide.
What is the SMILES notation for 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N-methylacetamide?
The canonical SMILES for 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N-methylacetamide is CNC(=O)CSc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N-methylacetamide?
The InChIKey is OGKQYEPTGAOFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O2S/c1-28-20(33)14-34-21-12-17(24(25,26)27)22-18(32)13-19(29-15-8-4-2-5-9-15)31(23(22)30-21)16-10-6-3-7-11-16/h2-13,29H,14H2,1H3,(H,28,33).
What are the key properties of 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N-methylacetamide?
2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N-methylacetamide has a molecular weight of 484.50 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]-N-methylacetamide is sourced from PubChem (CID 20790465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).