ethyl 5-(dimethylcarbamoyl)-2-[[2-[2-(1H-indol-3-yl)acetyl]oxyacetyl]amino]-4-methylthiophene-3-carboxylate

C23H25N3O6S — CID 24979752

IUPACethyl 5-(dimethylcarbamoyl)-2-[[2-[2-(1H-indol-3-yl)acetyl]oxyacetyl]amino]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C23H25N3O6S/c1-5-31-23(30)19-13(2)20(22(29)26(3)4)33-21(19)25-17(27)12-32-18(28)10-14-11-24-16-9-7-6-8-15(14)16/h6-9,11,24H,5,10,12H2,1-4H3,(H,25,27)
InChIKeyFOJHSLLQSYMRRM-UHFFFAOYSA-N
MW471.54 g/mol
LogP3.14
Rot. Bonds8

About ethyl 5-(dimethylcarbamoyl)-2-[[2-[2-(1H-indol-3-yl)acetyl]oxyacetyl]amino]-4-methylthiophene-3-carboxylate

ethyl 5-(dimethylcarbamoyl)-2-[[2-[2-(1H-indol-3-yl)acetyl]oxyacetyl]amino]-4-methylthiophene-3-carboxylate (PubChem CID 24979752) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is ethyl 5-(dimethylcarbamoyl)-2-[[2-[2-(1H-indol-3-yl)acetyl]oxyacetyl]amino]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dimethylcarbamoyl)-2-[[2-[2-(1H-indol-3-yl)acetyl]oxyacetyl]amino]-4-methylthiophene-3-carboxylate
PubChem CID24979752
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC Nameethyl 5-(dimethylcarbamoyl)-2-[[2-[2-(1H-indol-3-yl)acetyl]oxyacetyl]amino]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C23H25N3O6S/c1-5-31-23(30)19-13(2)20(22(29)26(3)4)33-21(19)25-17(27)12-32-18(28)10-14-11-24-16-9-7-6-8-15(14)16/h6-9,11,24H,5,10,12H2,1-4H3,(H,25,27)
InChIKeyFOJHSLLQSYMRRM-UHFFFAOYSA-N
XLogP3.14
TPSA117.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dimethylcarbamoyl)-2-[[2-[2-(1H-indol-3-yl)acetyl]oxyacetyl]amino]-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 5-(dimethylcarbamoyl)-2-[[2-[2-(1H-indol-3-yl)acetyl]oxyacetyl]amino]-4-methylthiophene-3-carboxylate (CID 24979752) is ethyl 5-(dimethylcarbamoyl)-2-[[2-[2-(1H-indol-3-yl)acetyl]oxyacetyl]amino]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-(dimethylcarbamoyl)-2-[[2-[2-(1H-indol-3-yl)acetyl]oxyacetyl]amino]-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 5-(dimethylcarbamoyl)-2-[[2-[2-(1H-indol-3-yl)acetyl]oxyacetyl]amino]-4-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)sc(C(=O)N(C)C)c1C.
What is the InChIKey of ethyl 5-(dimethylcarbamoyl)-2-[[2-[2-(1H-indol-3-yl)acetyl]oxyacetyl]amino]-4-methylthiophene-3-carboxylate?
The InChIKey is FOJHSLLQSYMRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-5-31-23(30)19-13(2)20(22(29)26(3)4)33-21(19)25-17(27)12-32-18(28)10-14-11-24-16-9-7-6-8-15(14)16/h6-9,11,24H,5,10,12H2,1-4H3,(H,25,27).
What are the key properties of ethyl 5-(dimethylcarbamoyl)-2-[[2-[2-(1H-indol-3-yl)acetyl]oxyacetyl]amino]-4-methylthiophene-3-carboxylate?
ethyl 5-(dimethylcarbamoyl)-2-[[2-[2-(1H-indol-3-yl)acetyl]oxyacetyl]amino]-4-methylthiophene-3-carboxylate has a molecular weight of 471.54 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dimethylcarbamoyl)-2-[[2-[2-(1H-indol-3-yl)acetyl]oxyacetyl]amino]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 24979752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).