[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate

C16H15NO5S — CID 2359361

IUPAC[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(=O)COC(=O)c2cccs2)cc1
InChIInChI=1S/C16H15NO5S/c1-21-15(19)12-6-4-11(5-7-12)9-17-14(18)10-22-16(20)13-3-2-8-23-13/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyUAMMZYLJHRAYCU-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.01
Rot. Bonds6

About [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate

[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 2359361) has the molecular formula C16H15NO5S and a molecular weight of 333.37 g/mol. Its IUPAC name is [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
PubChem CID2359361
Molecular FormulaC16H15NO5S
Molecular Weight333.37 g/mol
Exact Mass333.07
IUPAC Name[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(=O)COC(=O)c2cccs2)cc1
InChIInChI=1S/C16H15NO5S/c1-21-15(19)12-6-4-11(5-7-12)9-17-14(18)10-22-16(20)13-3-2-8-23-13/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyUAMMZYLJHRAYCU-UHFFFAOYSA-N
XLogP2.01
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate (CID 2359361) is [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate is COC(=O)c1ccc(CNC(=O)COC(=O)c2cccs2)cc1.
What is the InChIKey of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is UAMMZYLJHRAYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5S/c1-21-15(19)12-6-4-11(5-7-12)9-17-14(18)10-22-16(20)13-3-2-8-23-13/h2-8H,9-10H2,1H3,(H,17,18).
What are the key properties of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate?
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 333.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 2359361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).