[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-2-carboxylate

C18H15NO3S — CID 2480266

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2c1)NCc1cccs1
InChIInChI=1S/C18H15NO3S/c20-17(19-11-16-6-3-9-23-16)12-22-18(21)15-8-7-13-4-1-2-5-14(13)10-15/h1-10H,11-12H2,(H,19,20)
InChIKeyIYTUWDQNHQPGHU-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.37
Rot. Bonds5

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

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-2-carboxylate (PubChem CID 2480266) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-2-carboxylate
PubChem CID2480266
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2c1)NCc1cccs1
InChIInChI=1S/C18H15NO3S/c20-17(19-11-16-6-3-9-23-16)12-22-18(21)15-8-7-13-4-1-2-5-14(13)10-15/h1-10H,11-12H2,(H,19,20)
InChIKeyIYTUWDQNHQPGHU-UHFFFAOYSA-N
XLogP3.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] naphthalene-2-carboxylate
CID 8866315
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-1-carboxylate
CID 2364071
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-benzothiophene-2-carboxylate
CID 7887268
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(difluoromethylsulfonyl)benzoate
CID 2499455
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7768832
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974346
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate
CID 2686987
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate
CID 2364548
bis[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-but-2-enedioate
CID 35700522
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 4302428
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 9061468
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 55445341

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-2-carboxylate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-2-carboxylate (CID 2480266) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-2-carboxylate is O=C(COC(=O)c1ccc2ccccc2c1)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-2-carboxylate?
The InChIKey is IYTUWDQNHQPGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c20-17(19-11-16-6-3-9-23-16)12-22-18(21)15-8-7-13-4-1-2-5-14(13)10-15/h1-10H,11-12H2,(H,19,20).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-2-carboxylate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-2-carboxylate has a molecular weight of 325.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-2-carboxylate is sourced from PubChem (CID 2480266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).