[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] benzoate

C14H13NO3S — CID 2490679

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)NCc1cccs1
InChIInChI=1S/C14H13NO3S/c16-13(15-9-12-7-4-8-19-12)10-18-14(17)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,16)
InChIKeyBRANSSMRCYMVFX-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.22
Rot. Bonds5

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] benzoate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] benzoate (PubChem CID 2490679) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] benzoate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] benzoate
PubChem CID2490679
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)NCc1cccs1
InChIInChI=1S/C14H13NO3S/c16-13(15-9-12-7-4-8-19-12)10-18-14(17)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,16)
InChIKeyBRANSSMRCYMVFX-UHFFFAOYSA-N
XLogP2.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.22
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
N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
Thiophene-2-carboxylic acid {1-[(benzyloxymethyl-cyano-methyl)-carbamoyl]-2-cyclohexyl-ethyl}-amide
CID 10895470
[(Thiophene-2-carbonyl)-amino]-acetic acid 4-chloro-benzyl ester
CID 755838
[2-Oxo-2-(3-phenylpropylamino)ethyl] 3-methylthiophene-2-carboxylate
CID 2099233
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 2364677
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2413047
[2-(Ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2418493
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2428702
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-bromobenzoate
CID 2428898
[(2-Phenylethyl)carbamoyl]methyl 3-methylthiophene-2-carboxylate
CID 2436450
2-Oxo-2-[(thiophen-2-ylmethyl)amino]ethyl 2-methylbenzoate
CID 2480348

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] benzoate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] benzoate (CID 2490679) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] benzoate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] benzoate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] benzoate is O=C(COC(=O)c1ccccc1)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] benzoate?
The InChIKey is BRANSSMRCYMVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c16-13(15-9-12-7-4-8-19-12)10-18-14(17)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,16).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] benzoate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] benzoate has a molecular weight of 275.33 g/mol, XLogP of 2.22, 5 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] benzoate is sourced from PubChem (CID 2490679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).