[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate

C19H17NO3S — CID 8610634

IUPAC[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
SMILESO=C(COC(=O)CCc1ccsc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H17NO3S/c21-18(12-23-19(22)8-5-14-9-10-24-13-14)20-17-7-6-15-3-1-2-4-16(15)11-17/h1-4,6-7,9-11,13H,5,8,12H2,(H,20,21)
InChIKeyPUZLZQJXEGYOTH-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.02
Rot. Bonds6

About [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate

[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate (PubChem CID 8610634) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate.

Molecular Properties

Compound Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
PubChem CID8610634
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
SMILESO=C(COC(=O)CCc1ccsc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H17NO3S/c21-18(12-23-19(22)8-5-14-9-10-24-13-14)20-17-7-6-15-3-1-2-4-16(15)11-17/h1-4,6-7,9-11,13H,5,8,12H2,(H,20,21)
InChIKeyPUZLZQJXEGYOTH-UHFFFAOYSA-N
XLogP4.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8611109
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate
CID 8551549
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8631061
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8631052
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8610869
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 46814981
methyl-[2-(naphthalen-2-ylamino)-2-oxoethyl]-(thiophen-3-ylmethyl)azanium
CID 9054362
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-thiophen-3-ylpropanoate
CID 30060515
[2-(2,4-dimethylanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8610928
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2095378
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751597
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608400

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate?
The IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate (CID 8610634) is [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate.
What is the SMILES notation for [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate?
The canonical SMILES for [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate is O=C(COC(=O)CCc1ccsc1)Nc1ccc2ccccc2c1.
What is the InChIKey of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate?
The InChIKey is PUZLZQJXEGYOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c21-18(12-23-19(22)8-5-14-9-10-24-13-14)20-17-7-6-15-3-1-2-4-16(15)11-17/h1-4,6-7,9-11,13H,5,8,12H2,(H,20,21).
What are the key properties of [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate?
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate has a molecular weight of 339.42 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate is sourced from PubChem (CID 8610634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).