[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-bromophenyl)acetate

C15H14BrNO3S — CID 2490615

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-bromophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Br)cc1)NCc1cccs1
InChIInChI=1S/C15H14BrNO3S/c16-12-5-3-11(4-6-12)8-15(19)20-10-14(18)17-9-13-2-1-7-21-13/h1-7H,8-10H2,(H,17,18)
InChIKeyZUYXICFEKNZMCM-UHFFFAOYSA-N
MW368.25 g/mol
LogP2.91
Rot. Bonds6

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-bromophenyl)acetate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-bromophenyl)acetate (PubChem CID 2490615) has the molecular formula C15H14BrNO3S and a molecular weight of 368.25 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-bromophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-bromophenyl)acetate
PubChem CID2490615
Molecular FormulaC15H14BrNO3S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-bromophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Br)cc1)NCc1cccs1
InChIInChI=1S/C15H14BrNO3S/c16-12-5-3-11(4-6-12)8-15(19)20-10-14(18)17-9-13-2-1-7-21-13/h1-7H,8-10H2,(H,17,18)
InChIKeyZUYXICFEKNZMCM-UHFFFAOYSA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 52.91
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-(4-bromophenyl)acetate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-bromophenyl)acetate (CID 2490615) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-bromophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-bromophenyl)acetate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-bromophenyl)acetate is O=C(COC(=O)Cc1ccc(Br)cc1)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-bromophenyl)acetate?
The InChIKey is ZUYXICFEKNZMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3S/c16-12-5-3-11(4-6-12)8-15(19)20-10-14(18)17-9-13-2-1-7-21-13/h1-7H,8-10H2,(H,17,18).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-bromophenyl)acetate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-bromophenyl)acetate has a molecular weight of 368.25 g/mol, XLogP of 2.91, 6 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-(4-bromophenyl)acetate is sourced from PubChem (CID 2490615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).