6-(4-ethylphenyl)-N-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide

C24H22N2O2S — CID 152876598

IUPAC6-(4-ethylphenyl)-N-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCCc1ccc(-c2ccc3cc(C(=O)NCc4cccc(OC)c4)sc3n2)cc1
InChIInChI=1S/C24H22N2O2S/c1-3-16-7-9-18(10-8-16)21-12-11-19-14-22(29-24(19)26-21)23(27)25-15-17-5-4-6-20(13-17)28-2/h4-14H,3,15H2,1-2H3,(H,25,27)
InChIKeyUANVETODCGVYDI-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.46
Rot. Bonds6

About 6-(4-ethylphenyl)-N-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide

6-(4-ethylphenyl)-N-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 152876598) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-N-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-ethylphenyl)-N-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID152876598
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC Name6-(4-ethylphenyl)-N-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCCc1ccc(-c2ccc3cc(C(=O)NCc4cccc(OC)c4)sc3n2)cc1
InChIInChI=1S/C24H22N2O2S/c1-3-16-7-9-18(10-8-16)21-12-11-19-14-22(29-24(19)26-21)23(27)25-15-17-5-4-6-20(13-17)28-2/h4-14H,3,15H2,1-2H3,(H,25,27)
InChIKeyUANVETODCGVYDI-UHFFFAOYSA-N
XLogP5.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-5-carboxamide
CID 53169243
5-fluoro-N-[(3-methoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9456291
3-amino-N-[(4-chlorophenyl)methyl]-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1003890
3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67402006
2-(4-ethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495684
N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 46082949
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 46395404
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53116698
methyl 5-[(6-methoxynaphthalen-2-yl)methylcarbamoyl]thiophene-2-carboxylate
CID 35191855
2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134795965

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-N-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-(4-ethylphenyl)-N-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide (CID 152876598) is 6-(4-ethylphenyl)-N-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-ethylphenyl)-N-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-(4-ethylphenyl)-N-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide is CCc1ccc(-c2ccc3cc(C(=O)NCc4cccc(OC)c4)sc3n2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-N-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is UANVETODCGVYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-3-16-7-9-18(10-8-16)21-12-11-19-14-22(29-24(19)26-21)23(27)25-15-17-5-4-6-20(13-17)28-2/h4-14H,3,15H2,1-2H3,(H,25,27).
What are the key properties of 6-(4-ethylphenyl)-N-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
6-(4-ethylphenyl)-N-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-N-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 152876598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).