dimethyl 5-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate

C18H23NO7S — CID 2617231

IUPACdimethyl 5-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)COC(=O)CC2CCCC2)c(C(=O)OC)c1C
InChIInChI=1S/C18H23NO7S/c1-10-14(17(22)24-2)16(27-15(10)18(23)25-3)19-12(20)9-26-13(21)8-11-6-4-5-7-11/h11H,4-9H2,1-3H3,(H,19,20)
InChIKeyZMZPPYRRSRYWHS-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.69
Rot. Bonds7

About dimethyl 5-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate

dimethyl 5-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate (PubChem CID 2617231) has the molecular formula C18H23NO7S and a molecular weight of 397.45 g/mol. Its IUPAC name is dimethyl 5-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate
PubChem CID2617231
Molecular FormulaC18H23NO7S
Molecular Weight397.45 g/mol
Exact Mass397.12
IUPAC Namedimethyl 5-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)COC(=O)CC2CCCC2)c(C(=O)OC)c1C
InChIInChI=1S/C18H23NO7S/c1-10-14(17(22)24-2)16(27-15(10)18(23)25-3)19-12(20)9-26-13(21)8-11-6-4-5-7-11/h11H,4-9H2,1-3H3,(H,19,20)
InChIKeyZMZPPYRRSRYWHS-UHFFFAOYSA-N
XLogP2.69
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze dimethyl 5-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate 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

dimethyl 3-methyl-5-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]thiophene-2,4-dicarboxylate
CID 7873029
methyl 2-[[2-(2-methoxyacetyl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8018665
methyl 5-carbamoyl-2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylthiophene-3-carboxylate
CID 22200487
dimethyl 5-[[2-[(2E,4E)-hexa-2,4-dienoyl]oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 6386036
ethyl 2-[[2-(3-cyclohexylpropanoyloxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 3275238
ethyl 5-acetyl-2-[[2-(2-methoxyacetyl)oxyacetyl]amino]-4-methylthiophene-3-carboxylate
CID 7775919
methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 22200488
dimethyl 5-[[2-[3-(1,3-dioxoisoindol-2-yl)propanoyloxy]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 3534523
diethyl 5-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 16576373
methyl 2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7932256
ethyl 2-[(2-cyclobutylacetyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 103714168
methyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate
CID 2617358

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 5-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate (CID 2617231) is dimethyl 5-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate is COC(=O)c1sc(NC(=O)COC(=O)CC2CCCC2)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 5-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is ZMZPPYRRSRYWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO7S/c1-10-14(17(22)24-2)16(27-15(10)18(23)25-3)19-12(20)9-26-13(21)8-11-6-4-5-7-11/h11H,4-9H2,1-3H3,(H,19,20).
What are the key properties of dimethyl 5-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate?
dimethyl 5-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 397.45 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 2617231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).