2-(4-ethylphenyl)sulfanyl-N-(2-methoxyethyl)quinoline-4-carboxamide

C21H22N2O2S — CID 5123542

IUPAC2-(4-ethylphenyl)sulfanyl-N-(2-methoxyethyl)quinoline-4-carboxamide
SMILESCCc1ccc(Sc2cc(C(=O)NCCOC)c3ccccc3n2)cc1
InChIInChI=1S/C21H22N2O2S/c1-3-15-8-10-16(11-9-15)26-20-14-18(21(24)22-12-13-25-2)17-6-4-5-7-19(17)23-20/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyBPRBRHQENHUVOM-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.32
Rot. Bonds7

About 2-(4-ethylphenyl)sulfanyl-N-(2-methoxyethyl)quinoline-4-carboxamide

2-(4-ethylphenyl)sulfanyl-N-(2-methoxyethyl)quinoline-4-carboxamide (PubChem CID 5123542) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-(4-ethylphenyl)sulfanyl-N-(2-methoxyethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)sulfanyl-N-(2-methoxyethyl)quinoline-4-carboxamide
PubChem CID5123542
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name2-(4-ethylphenyl)sulfanyl-N-(2-methoxyethyl)quinoline-4-carboxamide
SMILESCCc1ccc(Sc2cc(C(=O)NCCOC)c3ccccc3n2)cc1
InChIInChI=1S/C21H22N2O2S/c1-3-15-8-10-16(11-9-15)26-20-14-18(21(24)22-12-13-25-2)17-6-4-5-7-19(17)23-20/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyBPRBRHQENHUVOM-UHFFFAOYSA-N
XLogP4.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide
CID 5123222
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide
CID 3579691
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 4182269
N-[3-(N-ethylanilino)propyl]-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide
CID 5123544
N-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
CID 3491620
2-(4-ethylphenyl)sulfanylquinoline-4-carboxylate
CID 5079957
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
CID 4176110
2-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 4182262
2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide
CID 5218638
diethyl-[3-[[2-(4-fluorophenyl)sulfanylquinoline-4-carbonyl]amino]propyl]azanium
CID 5069378
N-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide
CID 62170948
2-hydrazinyl-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 62235922

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)sulfanyl-N-(2-methoxyethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)sulfanyl-N-(2-methoxyethyl)quinoline-4-carboxamide (CID 5123542) is 2-(4-ethylphenyl)sulfanyl-N-(2-methoxyethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)sulfanyl-N-(2-methoxyethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)sulfanyl-N-(2-methoxyethyl)quinoline-4-carboxamide is CCc1ccc(Sc2cc(C(=O)NCCOC)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)sulfanyl-N-(2-methoxyethyl)quinoline-4-carboxamide?
The InChIKey is BPRBRHQENHUVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-3-15-8-10-16(11-9-15)26-20-14-18(21(24)22-12-13-25-2)17-6-4-5-7-19(17)23-20/h4-11,14H,3,12-13H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-ethylphenyl)sulfanyl-N-(2-methoxyethyl)quinoline-4-carboxamide?
2-(4-ethylphenyl)sulfanyl-N-(2-methoxyethyl)quinoline-4-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)sulfanyl-N-(2-methoxyethyl)quinoline-4-carboxamide is sourced from PubChem (CID 5123542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).