3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide

C17H20N2O2S — CID 119449775

IUPAC3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)NC1CCNC1
InChIInChI=1S/C17H20N2O2S/c1-2-21-14-10-15(12-6-4-3-5-7-12)22-16(14)17(20)19-13-8-9-18-11-13/h3-7,10,13,18H,2,8-9,11H2,1H3,(H,19,20)
InChIKeyNRSSQQWCGLJEPM-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.91
Rot. Bonds5

About 3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide

3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide (PubChem CID 119449775) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
PubChem CID119449775
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)NC1CCNC1
InChIInChI=1S/C17H20N2O2S/c1-2-21-14-10-15(12-6-4-3-5-7-12)22-16(14)17(20)19-13-8-9-18-11-13/h3-7,10,13,18H,2,8-9,11H2,1H3,(H,19,20)
InChIKeyNRSSQQWCGLJEPM-UHFFFAOYSA-N
XLogP2.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386060
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-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
3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119427157
N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride
CID 119474680
3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-phenylthiophene-2-carboxamide;hydrochloride
CID 120945121
N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 46494690
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 119457762
3-ethoxy-N-(oxan-2-yloxy)-5-phenylthiophene-2-carboxamide
CID 60612363
(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-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The IUPAC name of 3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide (CID 119449775) is 3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide is CCOc1cc(-c2ccccc2)sc1C(=O)NC1CCNC1.
What is the InChIKey of 3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The InChIKey is NRSSQQWCGLJEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-2-21-14-10-15(12-6-4-3-5-7-12)22-16(14)17(20)19-13-8-9-18-11-13/h3-7,10,13,18H,2,8-9,11H2,1H3,(H,19,20).
What are the key properties of 3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.91, 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-pyrrolidin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 119449775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).