2-(4-ethylphenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide

C26H24N2O2S — CID 3579683

IUPAC2-(4-ethylphenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCCc1ccc(Sc2cc(C(=O)NCc3cccc(OC)c3)c3ccccc3n2)cc1
InChIInChI=1S/C26H24N2O2S/c1-3-18-11-13-21(14-12-18)31-25-16-23(22-9-4-5-10-24(22)28-25)26(29)27-17-19-7-6-8-20(15-19)30-2/h4-16H,3,17H2,1-2H3,(H,27,29)
InChIKeyTXTCBZPRWVWPGS-UHFFFAOYSA-N
MW428.56 g/mol
LogP5.89
Rot. Bonds7

About 2-(4-ethylphenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide

2-(4-ethylphenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide (PubChem CID 3579683) has the molecular formula C26H24N2O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is 2-(4-ethylphenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
PubChem CID3579683
Molecular FormulaC26H24N2O2S
Molecular Weight428.56 g/mol
Exact Mass428.16
IUPAC Name2-(4-ethylphenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCCc1ccc(Sc2cc(C(=O)NCc3cccc(OC)c3)c3ccccc3n2)cc1
InChIInChI=1S/C26H24N2O2S/c1-3-18-11-13-21(14-12-18)31-25-16-23(22-9-4-5-10-24(22)28-25)26(29)27-17-19-7-6-8-20(15-19)30-2/h4-16H,3,17H2,1-2H3,(H,27,29)
InChIKeyTXTCBZPRWVWPGS-UHFFFAOYSA-N
XLogP5.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethylphenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide (CID 3579683) is 2-(4-ethylphenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide is CCc1ccc(Sc2cc(C(=O)NCc3cccc(OC)c3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is TXTCBZPRWVWPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2S/c1-3-18-11-13-21(14-12-18)31-25-16-23(22-9-4-5-10-24(22)28-25)26(29)27-17-19-7-6-8-20(15-19)30-2/h4-16H,3,17H2,1-2H3,(H,27,29).
What are the key properties of 2-(4-ethylphenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide?
2-(4-ethylphenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 428.56 g/mol, XLogP of 5.89, 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-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 3579683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).