[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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Related Compounds

[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2364508
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-bromobenzoate
CID 2428898
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2490629
[2-(5-Bromothiophen-2-yl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
CID 24980344
[(Thiophene-2-carbonyl)-amino]-acetic acid 2-oxo-2-phenyl-ethyl ester
CID 3116656
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chlorophenyl)acetate
CID 2365512
[2-(5-Bromothiophen-2-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 2549400
(4-Bromophenyl)methyl 2-(2-thienylcarbonylamino)acetate
CID 1297937
2-(Benzylamino)-2-oxoethyl thiophen-3-ylacetate
CID 2337887
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-bromobenzoate
CID 2625652
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-thiophen-3-ylacetate
CID 3704975
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 16540250

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).