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

C18H15NO3S — CID 2364071

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-1-carboxylate
SMILESO=C(COC(=O)c1cccc2ccccc12)NCc1cccs1
InChIInChI=1S/C18H15NO3S/c20-17(19-11-14-7-4-10-23-14)12-22-18(21)16-9-3-6-13-5-1-2-8-15(13)16/h1-10H,11-12H2,(H,19,20)
InChIKeySSVNLZIVINRDAM-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.37
Rot. Bonds5

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

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-1-carboxylate (PubChem CID 2364071) 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-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-1-carboxylate
PubChem CID2364071
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-1-carboxylate
SMILESO=C(COC(=O)c1cccc2ccccc12)NCc1cccs1
InChIInChI=1S/C18H15NO3S/c20-17(19-11-14-7-4-10-23-14)12-22-18(21)16-9-3-6-13-5-1-2-8-15(13)16/h1-10H,11-12H2,(H,19,20)
InChIKeySSVNLZIVINRDAM-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-ylethylamino)ethyl] naphthalene-1-carboxylate
CID 8936148
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate
CID 7492917
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-2-carboxylate
CID 2480266
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-benzothiophene-2-carboxylate
CID 7887268
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-dichlorobenzoate
CID 2364548
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1,3-benzoxazole-4-carboxylate
CID 23943725
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-chloro-4,5-difluorobenzoate
CID 2364701
bis[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-but-2-enedioate
CID 35700522
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-bromo-4-fluorobenzoate
CID 8837401
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-amino-3,5-dichlorobenzoate
CID 2620415
2-naphthalen-1-yl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 7676413
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] naphthalene-1-carboxylate
CID 2445194

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-1-carboxylate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-1-carboxylate (CID 2364071) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-1-carboxylate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-1-carboxylate is O=C(COC(=O)c1cccc2ccccc12)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-1-carboxylate?
The InChIKey is SSVNLZIVINRDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c20-17(19-11-14-7-4-10-23-14)12-22-18(21)16-9-3-6-13-5-1-2-8-15(13)16/h1-10H,11-12H2,(H,19,20).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-1-carboxylate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-1-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-1-carboxylate is sourced from PubChem (CID 2364071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).