2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide

C25H20F2N2OS — CID 5218638

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide
SMILESCCc1ccc(CNC(=O)c2cc(Sc3ccc(F)cc3F)nc3ccccc23)cc1
InChIInChI=1S/C25H20F2N2OS/c1-2-16-7-9-17(10-8-16)15-28-25(30)20-14-24(29-22-6-4-3-5-19(20)22)31-23-12-11-18(26)13-21(23)27/h3-14H,2,15H2,1H3,(H,28,30)
InChIKeyIADVLWJFEZVUPS-UHFFFAOYSA-N
MW434.51 g/mol
LogP6.16
Rot. Bonds6

About 2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide

2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide (PubChem CID 5218638) has the molecular formula C25H20F2N2OS and a molecular weight of 434.51 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide
PubChem CID5218638
Molecular FormulaC25H20F2N2OS
Molecular Weight434.51 g/mol
Exact Mass434.13
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide
SMILESCCc1ccc(CNC(=O)c2cc(Sc3ccc(F)cc3F)nc3ccccc23)cc1
InChIInChI=1S/C25H20F2N2OS/c1-2-16-7-9-17(10-8-16)15-28-25(30)20-14-24(29-22-6-4-3-5-19(20)22)31-23-12-11-18(26)13-21(23)27/h3-14H,2,15H2,1H3,(H,28,30)
InChIKeyIADVLWJFEZVUPS-UHFFFAOYSA-N
XLogP6.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.51
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 5218637
N-butyl-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide
CID 5123222
2-(4-ethylphenyl)sulfanyl-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 5123542
N-[3-(N-ethylanilino)propyl]-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide
CID 5123544
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide
CID 3579691
2-(4-ethylphenyl)sulfanylquinoline-4-carboxylate
CID 5079957
diethyl-[3-[[2-(4-fluorophenyl)sulfanylquinoline-4-carbonyl]amino]propyl]azanium
CID 5069378
N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanylquinoline-4-carboxamide
CID 4244425
N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide
CID 5216223
N-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
CID 3491620
2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3558127
N-[(4-fluorophenyl)methyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22578001

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide (CID 5218638) is 2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide is CCc1ccc(CNC(=O)c2cc(Sc3ccc(F)cc3F)nc3ccccc23)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is IADVLWJFEZVUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2OS/c1-2-16-7-9-17(10-8-16)15-28-25(30)20-14-24(29-22-6-4-3-5-19(20)22)31-23-12-11-18(26)13-21(23)27/h3-14H,2,15H2,1H3,(H,28,30).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide?
2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 434.51 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 5218638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).