[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

C19H20N2O5S — CID 9066280

IUPAC[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
SMILESCc1ccc(C(=O)COC(=O)CNC(=O)CNC(=O)c2cccs2)c(C)c1
InChIInChI=1S/C19H20N2O5S/c1-12-5-6-14(13(2)8-12)15(22)11-26-18(24)10-20-17(23)9-21-19(25)16-4-3-7-27-16/h3-8H,9-11H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyXRRRGBGUDGXQSX-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.64
Rot. Bonds8

About [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate (PubChem CID 9066280) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate.

Molecular Properties

Compound Name[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
PubChem CID9066280
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
SMILESCc1ccc(C(=O)COC(=O)CNC(=O)CNC(=O)c2cccs2)c(C)c1
InChIInChI=1S/C19H20N2O5S/c1-12-5-6-14(13(2)8-12)15(22)11-26-18(24)10-20-17(23)9-21-19(25)16-4-3-7-27-16/h3-8H,9-11H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyXRRRGBGUDGXQSX-UHFFFAOYSA-N
XLogP1.64
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]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

[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066293
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270254
[2-(3-fluorophenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 8677246
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066291
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate
CID 3829044
(2-oxo-2-thiophen-2-ylethyl) 2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]acetate
CID 3518891
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662268
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(thiophene-2-carbonylamino)propanoate
CID 43027083
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662292
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662200
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
CID 42007014
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7807897

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The IUPAC name of [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate (CID 9066280) is [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate.
What is the SMILES notation for [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The canonical SMILES for [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate is Cc1ccc(C(=O)COC(=O)CNC(=O)CNC(=O)c2cccs2)c(C)c1.
What is the InChIKey of [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The InChIKey is XRRRGBGUDGXQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-12-5-6-14(13(2)8-12)15(22)11-26-18(24)10-20-17(23)9-21-19(25)16-4-3-7-27-16/h3-8H,9-11H2,1-2H3,(H,20,23)(H,21,25).
What are the key properties of [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate has a molecular weight of 388.45 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate is sourced from PubChem (CID 9066280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).