[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate

C15H15NO4S — CID 2364677

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1cccs1
InChIInChI=1S/C15H15NO4S/c1-19-12-6-3-2-5-11(12)9-16-14(17)10-20-15(18)13-7-4-8-21-13/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyIVKOYEHWFHOICQ-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.23
Rot. Bonds6

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 2364677) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
PubChem CID2364677
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
SMILESCOc1ccccc1CNC(=O)COC(=O)c1cccs1
InChIInChI=1S/C15H15NO4S/c1-19-12-6-3-2-5-11(12)9-16-14(17)10-20-15(18)13-7-4-8-21-13/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyIVKOYEHWFHOICQ-UHFFFAOYSA-N
XLogP2.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate (CID 2364677) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate is COc1ccccc1CNC(=O)COC(=O)c1cccs1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is IVKOYEHWFHOICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-19-12-6-3-2-5-11(12)9-16-14(17)10-20-15(18)13-7-4-8-21-13/h2-8H,9-10H2,1H3,(H,16,17).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 2364677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).