[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate

C16H14N2O3S — CID 7492917

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate
SMILESO=C(COC(=O)c1c[nH]c2ccccc12)NCc1cccs1
InChIInChI=1S/C16H14N2O3S/c19-15(18-8-11-4-3-7-22-11)10-21-16(20)13-9-17-14-6-2-1-5-12(13)14/h1-7,9,17H,8,10H2,(H,18,19)
InChIKeyATQHOYOQHUBXAR-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.70
Rot. Bonds5

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate (PubChem CID 7492917) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate
PubChem CID7492917
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate
SMILESO=C(COC(=O)c1c[nH]c2ccccc12)NCc1cccs1
InChIInChI=1S/C16H14N2O3S/c19-15(18-8-11-4-3-7-22-11)10-21-16(20)13-9-17-14-6-2-1-5-12(13)14/h1-7,9,17H,8,10H2,(H,18,19)
InChIKeyATQHOYOQHUBXAR-UHFFFAOYSA-N
XLogP2.70
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
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-phenylethylamino)ethyl] 1H-indole-3-carboxylate
CID 7492818
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492809
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492935
[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 30755132
[2-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492892
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-chloro-4,5-difluorobenzoate
CID 2364701
[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
N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide
CID 60659716
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-2-carboxylate
CID 2480266
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate
CID 8936148

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate (CID 7492917) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate is O=C(COC(=O)c1c[nH]c2ccccc12)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate?
The InChIKey is ATQHOYOQHUBXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c19-15(18-8-11-4-3-7-22-11)10-21-16(20)13-9-17-14-6-2-1-5-12(13)14/h1-7,9,17H,8,10H2,(H,18,19).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate has a molecular weight of 314.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1H-indole-3-carboxylate is sourced from PubChem (CID 7492917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).