[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylbenzoate

C15H15NO3S — CID 2480348

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCC(=O)NCc1cccs1
InChIInChI=1S/C15H15NO3S/c1-11-5-2-3-7-13(11)15(18)19-10-14(17)16-9-12-6-4-8-20-12/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyVSQZFHPXPTUCMM-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.53
Rot. Bonds5

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylbenzoate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylbenzoate (PubChem CID 2480348) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylbenzoate
PubChem CID2480348
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCC(=O)NCc1cccs1
InChIInChI=1S/C15H15NO3S/c1-11-5-2-3-7-13(11)15(18)19-10-14(17)16-9-12-6-4-8-20-12/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyVSQZFHPXPTUCMM-UHFFFAOYSA-N
XLogP2.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylbenzoate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylbenzoate (CID 2480348) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylbenzoate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylbenzoate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylbenzoate is Cc1ccccc1C(=O)OCC(=O)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylbenzoate?
The InChIKey is VSQZFHPXPTUCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-11-5-2-3-7-13(11)15(18)19-10-14(17)16-9-12-6-4-8-20-12/h2-8H,9-10H2,1H3,(H,16,17).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylbenzoate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-methylbenzoate has a molecular weight of 289.36 g/mol, XLogP of 2.53, 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] 2-methylbenzoate is sourced from PubChem (CID 2480348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).