[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate

C18H20N2O4S — CID 7807968

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C18H20N2O4S/c1-3-13-7-4-6-12(2)17(13)20-15(21)11-24-16(22)10-19-18(23)14-8-5-9-25-14/h4-9H,3,10-11H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyJNYRPRMRWRNKLV-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.53
Rot. Bonds7

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate (PubChem CID 7807968) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
PubChem CID7807968
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C18H20N2O4S/c1-3-13-7-4-6-12(2)17(13)20-15(21)11-24-16(22)10-19-18(23)14-8-5-9-25-14/h4-9H,3,10-11H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyJNYRPRMRWRNKLV-UHFFFAOYSA-N
XLogP2.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate 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

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 2440618
2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2091944
[2-(2-Methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2336809
[2-(2,6-Diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2338102
[2-(2,5-difluoroanilino)-2-oxoethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 2340519
2-Oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl thiophen-3-ylacetate
CID 2354782
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate
CID 2385732
[2-(2-Cyanoanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2409339
[2-Oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(thiophene-2-carbonylamino)acetate
CID 2478990
[1-[4-(Dimethylamino)anilino]-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 3481272
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 4283704
[2-[4-(Dimethylamino)anilino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 4789751

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate (CID 7807968) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate is CCc1cccc(C)c1NC(=O)COC(=O)CNC(=O)c1cccs1.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is JNYRPRMRWRNKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-3-13-7-4-6-12(2)17(13)20-15(21)11-24-16(22)10-19-18(23)14-8-5-9-25-14/h4-9H,3,10-11H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 360.44 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 7807968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).