3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide

C18H22N2O2S — CID 119386060

IUPAC3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)NC1CCNCC1
InChIInChI=1S/C18H22N2O2S/c1-2-22-15-12-16(13-6-4-3-5-7-13)23-17(15)18(21)20-14-8-10-19-11-9-14/h3-7,12,14,19H,2,8-11H2,1H3,(H,20,21)
InChIKeyRPGJFOVGJVHYMU-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.30
Rot. Bonds5

About 3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide

3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide (PubChem CID 119386060) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide
PubChem CID119386060
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)NC1CCNCC1
InChIInChI=1S/C18H22N2O2S/c1-2-22-15-12-16(13-6-4-3-5-7-13)23-17(15)18(21)20-14-8-10-19-11-9-14/h3-7,12,14,19H,2,8-11H2,1H3,(H,20,21)
InChIKeyRPGJFOVGJVHYMU-UHFFFAOYSA-N
XLogP3.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119449775
3-ethoxy-N-(2-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide
CID 120600484
N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride
CID 119474680
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 119455398
3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide
CID 120557341
3-methoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119452328
3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119427157
N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 46494690
3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-phenylthiophene-2-carboxamide;hydrochloride
CID 120945121
2-ethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389363
2-(2-ethoxyphenoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389301
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 119457762

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide?
The IUPAC name of 3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide (CID 119386060) is 3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide?
The canonical SMILES for 3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide is CCOc1cc(-c2ccccc2)sc1C(=O)NC1CCNCC1.
What is the InChIKey of 3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide?
The InChIKey is RPGJFOVGJVHYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-2-22-15-12-16(13-6-4-3-5-7-13)23-17(15)18(21)20-14-8-10-19-11-9-14/h3-7,12,14,19H,2,8-11H2,1H3,(H,20,21).
What are the key properties of 3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide?
3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 119386060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).