5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]thiophene-2-carboxamide

C24H26N2O2S — CID 20940539

IUPAC5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(N3CCCc4ccccc43)s2)cc1
InChIInChI=1S/C24H26N2O2S/c1-2-28-20-11-9-18(10-12-20)15-16-25-24(27)22-13-14-23(29-22)26-17-5-7-19-6-3-4-8-21(19)26/h3-4,6,8-14H,2,5,7,15-17H2,1H3,(H,25,27)
InChIKeyOYOIWCCOZBPGLF-UHFFFAOYSA-N
MW406.55 g/mol
LogP5.20
Rot. Bonds7

About 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]thiophene-2-carboxamide

5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 20940539) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]thiophene-2-carboxamide
PubChem CID20940539
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(N3CCCc4ccccc43)s2)cc1
InChIInChI=1S/C24H26N2O2S/c1-2-28-20-11-9-18(10-12-20)15-16-25-24(27)22-13-14-23(29-22)26-17-5-7-19-6-3-4-8-21(19)26/h3-4,6,8-14H,2,5,7,15-17H2,1H3,(H,25,27)
InChIKeyOYOIWCCOZBPGLF-UHFFFAOYSA-N
XLogP5.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide
CID 20940563
5-(2,3-dihydroindol-1-yl)-N-(3-ethoxypropyl)thiophene-2-carboxamide
CID 20940575
5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 20940588
5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 20940558
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 20940535
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109162480
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 109290660
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide
CID 20940525
N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11638903
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213564
N-[2-(4-ethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788126

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]thiophene-2-carboxamide (CID 20940539) is 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]thiophene-2-carboxamide is CCOc1ccc(CCNC(=O)c2ccc(N3CCCc4ccccc43)s2)cc1.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is OYOIWCCOZBPGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-2-28-20-11-9-18(10-12-20)15-16-25-24(27)22-13-14-23(29-22)26-17-5-7-19-6-3-4-8-21(19)26/h3-4,6,8-14H,2,5,7,15-17H2,1H3,(H,25,27).
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]thiophene-2-carboxamide?
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 406.55 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 20940539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).