4-ethyl-N-[1-(oxolan-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C16H24N2O2S — CID 51118263

IUPAC4-ethyl-N-[1-(oxolan-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCCC1c2ccsc2CCN1C(=O)NC(C)C1CCCO1
InChIInChI=1S/C16H24N2O2S/c1-3-13-12-7-10-21-15(12)6-8-18(13)16(19)17-11(2)14-5-4-9-20-14/h7,10-11,13-14H,3-6,8-9H2,1-2H3,(H,17,19)
InChIKeyKMGCEQAYUOAPSP-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.33
Rot. Bonds3

About 4-ethyl-N-[1-(oxolan-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

4-ethyl-N-[1-(oxolan-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 51118263) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-ethyl-N-[1-(oxolan-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[1-(oxolan-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID51118263
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name4-ethyl-N-[1-(oxolan-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCCC1c2ccsc2CCN1C(=O)NC(C)C1CCCO1
InChIInChI=1S/C16H24N2O2S/c1-3-13-12-7-10-21-15(12)6-8-18(13)16(19)17-11(2)14-5-4-9-20-14/h7,10-11,13-14H,3-6,8-9H2,1-2H3,(H,17,19)
InChIKeyKMGCEQAYUOAPSP-UHFFFAOYSA-N
XLogP3.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-N-[1-(oxolan-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide with MolForge

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Related Compounds

(2S)-1-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-methylbutan-1-one
CID 94822699
2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294015
(2S)-2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 61146658
(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100836454
2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-propan-2-ylacetamide
CID 27120884
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropan-1-one
CID 55104231
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119731903
(4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94058436
methyl 4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)amino]piperidine-1-carboxylate
CID 86842349
4-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47760186
(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 100836452
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2,3-trimethylbutan-1-one
CID 65269950

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(oxolan-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of 4-ethyl-N-[1-(oxolan-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 51118263) is 4-ethyl-N-[1-(oxolan-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[1-(oxolan-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[1-(oxolan-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CCC1c2ccsc2CCN1C(=O)NC(C)C1CCCO1.
What is the InChIKey of 4-ethyl-N-[1-(oxolan-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is KMGCEQAYUOAPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-3-13-12-7-10-21-15(12)6-8-18(13)16(19)17-11(2)14-5-4-9-20-14/h7,10-11,13-14H,3-6,8-9H2,1-2H3,(H,17,19).
What are the key properties of 4-ethyl-N-[1-(oxolan-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
4-ethyl-N-[1-(oxolan-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(oxolan-2-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 51118263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).