[2-(benzylamino)-2-oxoethyl] 2-thiophen-3-ylacetate

C15H15NO3S — CID 2337887

IUPAC[2-(benzylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NCc1ccccc1
InChIInChI=1S/C15H15NO3S/c17-14(16-9-12-4-2-1-3-5-12)10-19-15(18)8-13-6-7-20-11-13/h1-7,11H,8-10H2,(H,16,17)
InChIKeyQAMBQOLURZOYOQ-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.15
Rot. Bonds6

About [2-(benzylamino)-2-oxoethyl] 2-thiophen-3-ylacetate

[2-(benzylamino)-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 2337887) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID2337887
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NCc1ccccc1
InChIInChI=1S/C15H15NO3S/c17-14(16-9-12-4-2-1-3-5-12)10-19-15(18)8-13-6-7-20-11-13/h1-7,11H,8-10H2,(H,16,17)
InChIKeyQAMBQOLURZOYOQ-UHFFFAOYSA-N
XLogP2.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{2-[(Thiophene-2-carbonyl)-amino]-acetylamino}-acetic acid 2-oxo-2-phenyl-ethyl ester
CID 1619081
[2-Oxo-2-(3-phenylpropylamino)ethyl] 3-methylthiophene-2-carboxylate
CID 2099233
[2-(Benzylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2357308
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2364508
[(2-Phenylethyl)carbamoyl]methyl 3-methylthiophene-2-carboxylate
CID 2436450
2-Oxo-2-[(thiophen-2-ylmethyl)amino]ethyl 2-methylbenzoate
CID 2480348
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-difluorobenzoate
CID 2481084
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2552529
Phenacyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2578853
(2-Oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate
CID 3154684
2-(Benzylamino)-2-oxoethyl 3-methylthiophene-2-carboxylate
CID 3266695
[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 8630918

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-thiophen-3-ylacetate (CID 2337887) is [2-(benzylamino)-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2-thiophen-3-ylacetate is O=C(COC(=O)Cc1ccsc1)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is QAMBQOLURZOYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-14(16-9-12-4-2-1-3-5-12)10-19-15(18)8-13-6-7-20-11-13/h1-7,11H,8-10H2,(H,16,17).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-(benzylamino)-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 289.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2337887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).