[2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate

C17H18N2O4S — CID 8611109

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)CCc2ccsc2)cc1
InChIInChI=1S/C17H18N2O4S/c1-12(20)18-14-3-5-15(6-4-14)19-16(21)10-23-17(22)7-2-13-8-9-24-11-13/h3-6,8-9,11H,2,7,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyFRSFDRIHGADYLQ-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.82
Rot. Bonds7

About [2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate

[2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate (PubChem CID 8611109) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
PubChem CID8611109
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)CCc2ccsc2)cc1
InChIInChI=1S/C17H18N2O4S/c1-12(20)18-14-3-5-15(6-4-14)19-16(21)10-23-17(22)7-2-13-8-9-24-11-13/h3-6,8-9,11H,2,7,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyFRSFDRIHGADYLQ-UHFFFAOYSA-N
XLogP2.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(4-acetamidoanilino)-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-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8631061
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8610634
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8610869
[2-(2,4-dimethylanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8610928
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8631052
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8654437
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 46814981
methyl 4-methyl-3-[[2-(3-thiophen-3-ylpropanoyloxy)acetyl]amino]benzoate
CID 8654333
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-thiophen-3-ylpropanoate
CID 30060919
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-thiophen-3-ylpropanoate
CID 30060515
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-thiophen-3-ylacetate
CID 2344902
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-thiophen-3-ylpropanamide
CID 35365510

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate (CID 8611109) is [2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate is CC(=O)Nc1ccc(NC(=O)COC(=O)CCc2ccsc2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate?
The InChIKey is FRSFDRIHGADYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-12(20)18-14-3-5-15(6-4-14)19-16(21)10-23-17(22)7-2-13-8-9-24-11-13/h3-6,8-9,11H,2,7,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate?
[2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate has a molecular weight of 346.41 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate is sourced from PubChem (CID 8611109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).