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

C18H20N2O3S — CID 3228507

IUPAC[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate
SMILESO=C(OC(C(=O)NC1CCCCC1)c1ccccn1)c1cccs1
InChIInChI=1S/C18H20N2O3S/c21-17(20-13-7-2-1-3-8-13)16(14-9-4-5-11-19-14)23-18(22)15-10-6-12-24-15/h4-6,9-13,16H,1-3,7-8H2,(H,20,21)
InChIKeyUVTZJOSSSZHSFN-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.49
Rot. Bonds5

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

[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate (PubChem CID 3228507) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate
PubChem CID3228507
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate
SMILESO=C(OC(C(=O)NC1CCCCC1)c1ccccn1)c1cccs1
InChIInChI=1S/C18H20N2O3S/c21-17(20-13-7-2-1-3-8-13)16(14-9-4-5-11-19-14)23-18(22)15-10-6-12-24-15/h4-6,9-13,16H,1-3,7-8H2,(H,20,21)
InChIKeyUVTZJOSSSZHSFN-UHFFFAOYSA-N
XLogP3.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-Methylsulfanylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2684867
2-[(Pyridin-3-ylcarbonyl)amino]ethyl thiophene-2-carboxylate
CID 649732
Thiophene-2-carboxylic acid pyridin-2-yl-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl ester
CID 652279
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-[(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
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] pyridine-2-carboxylate
CID 2693083
Thiophene-2-carboxylic acid cyclopentylcarbamoyl-pyridin-2-yl-methyl ester
CID 3228506
N-[[7-[(2S)-2-methoxy-2-phenylacetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide
CID 42247022
Methyl 4-({[2-(thiophen-3-yl)pyridin-4-yl]methyl}carbamoyl)benzoate
CID 91625625
Methyl 4-(((2-(thiophen-2-yl)pyridin-3-yl)methyl)carbamoyl)benzoate
CID 91625756

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate (CID 3228507) is [2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate is O=C(OC(C(=O)NC1CCCCC1)c1ccccn1)c1cccs1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate?
The InChIKey is UVTZJOSSSZHSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-17(20-13-7-2-1-3-8-13)16(14-9-4-5-11-19-14)23-18(22)15-10-6-12-24-15/h4-6,9-13,16H,1-3,7-8H2,(H,20,21).
What are the key properties of [2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate?
[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate has a molecular weight of 344.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl] thiophene-2-carboxylate is sourced from PubChem (CID 3228507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).