[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-2-ylethyl] thiophene-2-carboxylate

C17H18N2O4S — CID 652279

IUPAC[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-2-ylethyl] thiophene-2-carboxylate
SMILESO=C(OC(C(=O)NCC1CCCO1)c1ccccn1)c1cccs1
InChIInChI=1S/C17H18N2O4S/c20-16(19-11-12-5-3-9-22-12)15(13-6-1-2-8-18-13)23-17(21)14-7-4-10-24-14/h1-2,4,6-8,10,12,15H,3,5,9,11H2,(H,19,20)
InChIKeyIQDXDWHHAFOTHQ-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.34
Rot. Bonds6

About [2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-2-ylethyl] thiophene-2-carboxylate

[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-2-ylethyl] thiophene-2-carboxylate (PubChem CID 652279) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is [2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-2-ylethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-2-ylethyl] thiophene-2-carboxylate
PubChem CID652279
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-2-ylethyl] thiophene-2-carboxylate
SMILESO=C(OC(C(=O)NCC1CCCO1)c1ccccn1)c1cccs1
InChIInChI=1S/C17H18N2O4S/c20-16(19-11-12-5-3-9-22-12)15(13-6-1-2-8-18-13)23-17(21)14-7-4-10-24-14/h1-2,4,6-8,10,12,15H,3,5,9,11H2,(H,19,20)
InChIKeyIQDXDWHHAFOTHQ-UHFFFAOYSA-N
XLogP2.34
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-{2-[2-(2,6-dimethylmorpholino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate
CID 2767926
4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid cyclohexylcarbamoyl-pyridin-2-yl-methyl ester
CID 3228542
[2-[(3-Ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776315
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-methylpyrrole-2-carboxylate
CID 2629306
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776268
Thiophene-2-carboxylic acid pyridin-2-yl-[(thiophen-2-ylmethyl)-carbamoyl]-methyl ester
CID 648315
Thiophene-2-carboxylic acid cyclohexylcarbamoyl-pyridin-2-yl-methyl ester
CID 3228507
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] pyridine-2-carboxylate
CID 2693083
Thiophene-2-carboxylic acid cyclopentylcarbamoyl-pyridin-2-yl-methyl ester
CID 3228506
[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] pyridine-2-carboxylate
CID 8226167
[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] pyridine-2-carboxylate
CID 8226168
[1-Oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(trifluoromethyl)pyridine-2-carboxylate
CID 42939904

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-2-ylethyl] thiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-2-ylethyl] thiophene-2-carboxylate (CID 652279) is [2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-2-ylethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-2-ylethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-2-ylethyl] thiophene-2-carboxylate is O=C(OC(C(=O)NCC1CCCO1)c1ccccn1)c1cccs1.
What is the InChIKey of [2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-2-ylethyl] thiophene-2-carboxylate?
The InChIKey is IQDXDWHHAFOTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-16(19-11-12-5-3-9-22-12)15(13-6-1-2-8-18-13)23-17(21)14-7-4-10-24-14/h1-2,4,6-8,10,12,15H,3,5,9,11H2,(H,19,20).
What are the key properties of [2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-2-ylethyl] thiophene-2-carboxylate?
[2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-2-ylethyl] thiophene-2-carboxylate has a molecular weight of 346.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(oxolan-2-ylmethylamino)-1-pyridin-2-ylethyl] thiophene-2-carboxylate is sourced from PubChem (CID 652279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).