[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate

C19H17NO3S — CID 8936148

IUPAC[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate
SMILESO=C(COC(=O)c1cccc2ccccc12)NCCc1cccs1
InChIInChI=1S/C19H17NO3S/c21-18(20-11-10-15-7-4-12-24-15)13-23-19(22)17-9-3-6-14-5-1-2-8-16(14)17/h1-9,12H,10-11,13H2,(H,20,21)
InChIKeyRCTQJJCACUARRV-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.42
Rot. Bonds6

About [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate

[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate (PubChem CID 8936148) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate
PubChem CID8936148
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate
SMILESO=C(COC(=O)c1cccc2ccccc12)NCCc1cccs1
InChIInChI=1S/C19H17NO3S/c21-18(20-11-10-15-7-4-12-24-15)13-23-19(22)17-9-3-6-14-5-1-2-8-16(14)17/h1-9,12H,10-11,13H2,(H,20,21)
InChIKeyRCTQJJCACUARRV-UHFFFAOYSA-N
XLogP3.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-1-carboxylate
CID 2364071
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 16562405
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-phenylmethoxybenzoate
CID 28562265
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-chloropyridine-3-carboxylate
CID 8864600
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenoxyethoxy)benzoate
CID 28567581
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate
CID 7604407
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-methyl-2-nitrobenzoate
CID 8947367
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 8952610
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-amino-4-fluorobenzoate
CID 24501401
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate
CID 55386197
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate
CID 8861267
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,4-dimethoxybenzoate
CID 7604434

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate?
The IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate (CID 8936148) is [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate?
The canonical SMILES for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate is O=C(COC(=O)c1cccc2ccccc12)NCCc1cccs1.
What is the InChIKey of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate?
The InChIKey is RCTQJJCACUARRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c21-18(20-11-10-15-7-4-12-24-15)13-23-19(22)17-9-3-6-14-5-1-2-8-16(14)17/h1-9,12H,10-11,13H2,(H,20,21).
What are the key properties of [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate?
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate has a molecular weight of 339.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate is sourced from PubChem (CID 8936148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).