3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide

C19H24N2O2S — CID 120557341

IUPAC3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)NC1CCNCC1C
InChIInChI=1S/C19H24N2O2S/c1-3-23-16-11-17(14-7-5-4-6-8-14)24-18(16)19(22)21-15-9-10-20-12-13(15)2/h4-8,11,13,15,20H,3,9-10,12H2,1-2H3,(H,21,22)
InChIKeyYHGSIDNSSRQLTB-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.54
Rot. Bonds5

About 3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide

3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide (PubChem CID 120557341) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide
PubChem CID120557341
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)NC1CCNCC1C
InChIInChI=1S/C19H24N2O2S/c1-3-23-16-11-17(14-7-5-4-6-8-14)24-18(16)19(22)21-15-9-10-20-12-13(15)2/h4-8,11,13,15,20H,3,9-10,12H2,1-2H3,(H,21,22)
InChIKeyYHGSIDNSSRQLTB-UHFFFAOYSA-N
XLogP3.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.54
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-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386060
3-ethoxy-N-(2-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide
CID 120600484
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 119455398
N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride
CID 119474680
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
3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-phenylthiophene-2-carboxamide;hydrochloride
CID 120945121
4-ethoxy-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide
CID 120556500
N-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 120557670
N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 46494690
(3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4R)-3-hydroxy-4-methylpiperidin-1-yl]methanone
CID 97062903

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide?
The IUPAC name of 3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide (CID 120557341) is 3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for 3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide?
The canonical SMILES for 3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide is CCOc1cc(-c2ccccc2)sc1C(=O)NC1CCNCC1C.
What is the InChIKey of 3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide?
The InChIKey is YHGSIDNSSRQLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-3-23-16-11-17(14-7-5-4-6-8-14)24-18(16)19(22)21-15-9-10-20-12-13(15)2/h4-8,11,13,15,20H,3,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of 3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide?
3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 120557341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).