[2-(benzylamino)-2-oxoethyl] thiophene-2-carboxylate

C14H13NO3S — CID 2355161

IUPAC[2-(benzylamino)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)NCc1ccccc1
InChIInChI=1S/C14H13NO3S/c16-13(15-9-11-5-2-1-3-6-11)10-18-14(17)12-7-4-8-19-12/h1-8H,9-10H2,(H,15,16)
InChIKeyIRFCNPJCZSVVRP-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.22
Rot. Bonds5

About [2-(benzylamino)-2-oxoethyl] thiophene-2-carboxylate

[2-(benzylamino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 2355161) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID2355161
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name[2-(benzylamino)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)NCc1ccccc1
InChIInChI=1S/C14H13NO3S/c16-13(15-9-11-5-2-1-3-6-11)10-18-14(17)12-7-4-8-19-12/h1-8H,9-10H2,(H,15,16)
InChIKeyIRFCNPJCZSVVRP-UHFFFAOYSA-N
XLogP2.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] thiophene-2-carboxylate (CID 2355161) is [2-(benzylamino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] thiophene-2-carboxylate is O=C(COC(=O)c1cccs1)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is IRFCNPJCZSVVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c16-13(15-9-11-5-2-1-3-6-11)10-18-14(17)12-7-4-8-19-12/h1-8H,9-10H2,(H,15,16).
What are the key properties of [2-(benzylamino)-2-oxoethyl] thiophene-2-carboxylate?
[2-(benzylamino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 275.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 2355161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).