[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate

C17H18N2O4S — CID 8631061

IUPAC[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
SMILESCNC(=O)c1ccc(NC(=O)COC(=O)CCc2ccsc2)cc1
InChIInChI=1S/C17H18N2O4S/c1-18-17(22)13-3-5-14(6-4-13)19-15(20)10-23-16(21)7-2-12-8-9-24-11-12/h3-6,8-9,11H,2,7,10H2,1H3,(H,18,22)(H,19,20)
InChIKeyOSICNZJGGJBUHQ-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.22
Rot. Bonds7

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

[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate (PubChem CID 8631061) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate.

Molecular Properties

Compound Name[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
PubChem CID8631061
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
SMILESCNC(=O)c1ccc(NC(=O)COC(=O)CCc2ccsc2)cc1
InChIInChI=1S/C17H18N2O4S/c1-18-17(22)13-3-5-14(6-4-13)19-15(20)10-23-16(21)7-2-12-8-9-24-11-12/h3-6,8-9,11H,2,7,10H2,1H3,(H,18,22)(H,19,20)
InChIKeyOSICNZJGGJBUHQ-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[4-(methylcarbamoyl)anilino]-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-thiophen-3-ylpropanoate
CID 8610634
methyl 4-methyl-3-[[2-(3-thiophen-3-ylpropanoyloxy)acetyl]amino]benzoate
CID 8654333
[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
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130860
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-thiophen-3-ylpropanamide
CID 35365510
[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-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 8561963
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8735218
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 27916887

Frequently Asked Questions

What is the IUPAC name of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate?
The IUPAC name of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate (CID 8631061) is [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate.
What is the SMILES notation for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate?
The canonical SMILES for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate is CNC(=O)c1ccc(NC(=O)COC(=O)CCc2ccsc2)cc1.
What is the InChIKey of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate?
The InChIKey is OSICNZJGGJBUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-18-17(22)13-3-5-14(6-4-13)19-15(20)10-23-16(21)7-2-12-8-9-24-11-12/h3-6,8-9,11H,2,7,10H2,1H3,(H,18,22)(H,19,20).
What are the key properties of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate?
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate has a molecular weight of 346.41 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate is sourced from PubChem (CID 8631061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).