ethyl 5-(dimethylcarbamoyl)-2-[[2-[3-(4-ethoxyphenoxy)propanoyloxy]acetyl]amino]-4-methylthiophene-3-carboxylate

C24H30N2O8S — CID 24981636

IUPACethyl 5-(dimethylcarbamoyl)-2-[[2-[3-(4-ethoxyphenoxy)propanoyloxy]acetyl]amino]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)CCOc2ccc(OCC)cc2)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C24H30N2O8S/c1-6-31-16-8-10-17(11-9-16)33-13-12-19(28)34-14-18(27)25-22-20(24(30)32-7-2)15(3)21(35-22)23(29)26(4)5/h8-11H,6-7,12-14H2,1-5H3,(H,25,27)
InChIKeyHFEXFUCEHIDRNW-UHFFFAOYSA-N
MW506.58 g/mol
LogP3.28
Rot. Bonds12

About ethyl 5-(dimethylcarbamoyl)-2-[[2-[3-(4-ethoxyphenoxy)propanoyloxy]acetyl]amino]-4-methylthiophene-3-carboxylate

ethyl 5-(dimethylcarbamoyl)-2-[[2-[3-(4-ethoxyphenoxy)propanoyloxy]acetyl]amino]-4-methylthiophene-3-carboxylate (PubChem CID 24981636) has the molecular formula C24H30N2O8S and a molecular weight of 506.58 g/mol. Its IUPAC name is ethyl 5-(dimethylcarbamoyl)-2-[[2-[3-(4-ethoxyphenoxy)propanoyloxy]acetyl]amino]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dimethylcarbamoyl)-2-[[2-[3-(4-ethoxyphenoxy)propanoyloxy]acetyl]amino]-4-methylthiophene-3-carboxylate
PubChem CID24981636
Molecular FormulaC24H30N2O8S
Molecular Weight506.58 g/mol
Exact Mass506.17
IUPAC Nameethyl 5-(dimethylcarbamoyl)-2-[[2-[3-(4-ethoxyphenoxy)propanoyloxy]acetyl]amino]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)CCOc2ccc(OCC)cc2)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C24H30N2O8S/c1-6-31-16-8-10-17(11-9-16)33-13-12-19(28)34-14-18(27)25-22-20(24(30)32-7-2)15(3)21(35-22)23(29)26(4)5/h8-11H,6-7,12-14H2,1-5H3,(H,25,27)
InChIKeyHFEXFUCEHIDRNW-UHFFFAOYSA-N
XLogP3.28
TPSA120.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.58
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 5-(dimethylcarbamoyl)-2-[[2-[3-(4-ethoxyphenoxy)propanoyloxy]acetyl]amino]-4-methylthiophene-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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dimethylcarbamoyl)-2-[[2-[3-(4-ethoxyphenoxy)propanoyloxy]acetyl]amino]-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 5-(dimethylcarbamoyl)-2-[[2-[3-(4-ethoxyphenoxy)propanoyloxy]acetyl]amino]-4-methylthiophene-3-carboxylate (CID 24981636) is ethyl 5-(dimethylcarbamoyl)-2-[[2-[3-(4-ethoxyphenoxy)propanoyloxy]acetyl]amino]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-(dimethylcarbamoyl)-2-[[2-[3-(4-ethoxyphenoxy)propanoyloxy]acetyl]amino]-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 5-(dimethylcarbamoyl)-2-[[2-[3-(4-ethoxyphenoxy)propanoyloxy]acetyl]amino]-4-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)CCOc2ccc(OCC)cc2)sc(C(=O)N(C)C)c1C.
What is the InChIKey of ethyl 5-(dimethylcarbamoyl)-2-[[2-[3-(4-ethoxyphenoxy)propanoyloxy]acetyl]amino]-4-methylthiophene-3-carboxylate?
The InChIKey is HFEXFUCEHIDRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O8S/c1-6-31-16-8-10-17(11-9-16)33-13-12-19(28)34-14-18(27)25-22-20(24(30)32-7-2)15(3)21(35-22)23(29)26(4)5/h8-11H,6-7,12-14H2,1-5H3,(H,25,27).
What are the key properties of ethyl 5-(dimethylcarbamoyl)-2-[[2-[3-(4-ethoxyphenoxy)propanoyloxy]acetyl]amino]-4-methylthiophene-3-carboxylate?
ethyl 5-(dimethylcarbamoyl)-2-[[2-[3-(4-ethoxyphenoxy)propanoyloxy]acetyl]amino]-4-methylthiophene-3-carboxylate has a molecular weight of 506.58 g/mol, XLogP of 3.28, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dimethylcarbamoyl)-2-[[2-[3-(4-ethoxyphenoxy)propanoyloxy]acetyl]amino]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 24981636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).