[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate

C15H14ClNO3S — CID 8631119

IUPAC[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3S/c16-12-5-3-11(4-6-12)7-8-17-14(18)10-20-15(19)13-2-1-9-21-13/h1-6,9H,7-8,10H2,(H,17,18)
InChIKeyFDQQIERQTYGPAU-UHFFFAOYSA-N
MW323.80 g/mol
LogP2.92
Rot. Bonds6

About [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate

[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 8631119) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
PubChem CID8631119
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3S/c16-12-5-3-11(4-6-12)7-8-17-14(18)10-20-15(19)13-2-1-9-21-13/h1-6,9H,7-8,10H2,(H,17,18)
InChIKeyFDQQIERQTYGPAU-UHFFFAOYSA-N
XLogP2.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529845
[2-oxo-2-(2-phenylethylamino)ethyl] 4-chlorobenzoate
CID 2714989
[2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 9199439
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 55424719
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 2624513
N-[2-(4-chlorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 55364689
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate
CID 7604407
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 8983699
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497721
N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 22422194
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] thiophene-2-carboxylate
CID 2355591
[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 8630880

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate (CID 8631119) is [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate is O=C(COC(=O)c1cccs1)NCCc1ccc(Cl)cc1.
What is the InChIKey of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is FDQQIERQTYGPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c16-12-5-3-11(4-6-12)7-8-17-14(18)10-20-15(19)13-2-1-9-21-13/h1-6,9H,7-8,10H2,(H,17,18).
What are the key properties of [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate?
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 323.80 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 8631119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).