methyl 2-[[2-[3-(dimethylamino)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate

C19H22N2O5S — CID 2518559

IUPACmethyl 2-[[2-[3-(dimethylamino)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)COC(=O)c2cccc(N(C)C)c2)sc(C)c1C
InChIInChI=1S/C19H22N2O5S/c1-11-12(2)27-17(16(11)19(24)25-5)20-15(22)10-26-18(23)13-7-6-8-14(9-13)21(3)4/h6-9H,10H2,1-5H3,(H,20,22)
InChIKeyDQLHGDIPZFDPPI-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.01
Rot. Bonds6

About methyl 2-[[2-[3-(dimethylamino)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[[2-[3-(dimethylamino)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 2518559) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is methyl 2-[[2-[3-(dimethylamino)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-[3-(dimethylamino)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID2518559
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Namemethyl 2-[[2-[3-(dimethylamino)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)COC(=O)c2cccc(N(C)C)c2)sc(C)c1C
InChIInChI=1S/C19H22N2O5S/c1-11-12(2)27-17(16(11)19(24)25-5)20-15(22)10-26-18(23)13-7-6-8-14(9-13)21(3)4/h6-9H,10H2,1-5H3,(H,20,22)
InChIKeyDQLHGDIPZFDPPI-UHFFFAOYSA-N
XLogP3.01
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-[3-(dimethylamino)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate 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

ethyl 2-[[3-(dimethylamino)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 26902207
[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676739
ethyl 2-[[2-[3-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2553159
methyl 2-[[2-[4-(methoxymethyl)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 30801108
[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 31974666
methyl 2-[[2-(2-benzamidoacetyl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7783102
[2-(3,5-dichloroanilino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7261040
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2518674
[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] furan-2-carboxylate
CID 7814051
[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 8530628
methyl 2-[[2-(2-methoxyacetyl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8018665
methyl 2-[[2-[2-(3-fluorophenyl)acetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8590050

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[3-(dimethylamino)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-[3-(dimethylamino)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 2518559) is methyl 2-[[2-[3-(dimethylamino)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-[3-(dimethylamino)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-[3-(dimethylamino)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)COC(=O)c2cccc(N(C)C)c2)sc(C)c1C.
What is the InChIKey of methyl 2-[[2-[3-(dimethylamino)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is DQLHGDIPZFDPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-11-12(2)27-17(16(11)19(24)25-5)20-15(22)10-26-18(23)13-7-6-8-14(9-13)21(3)4/h6-9H,10H2,1-5H3,(H,20,22).
What are the key properties of methyl 2-[[2-[3-(dimethylamino)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
methyl 2-[[2-[3-(dimethylamino)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 390.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[3-(dimethylamino)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 2518559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).