ethyl 5-carbamoyl-2-[[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetyl]amino]-4-methylthiophene-3-carboxylate

C23H27N3O5S — CID 166191190

IUPACethyl 5-carbamoyl-2-[[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetyl]amino]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN(C)Cc2c(CC)oc3ccccc23)sc(C(N)=O)c1C
InChIInChI=1S/C23H27N3O5S/c1-5-16-15(14-9-7-8-10-17(14)31-16)11-26(4)12-18(27)25-22-19(23(29)30-6-2)13(3)20(32-22)21(24)28/h7-10H,5-6,11-12H2,1-4H3,(H2,24,28)(H,25,27)
InChIKeyKAUSKZXQNJUQOZ-UHFFFAOYSA-N
MW457.55 g/mol
LogP3.71
Rot. Bonds9

About ethyl 5-carbamoyl-2-[[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetyl]amino]-4-methylthiophene-3-carboxylate

ethyl 5-carbamoyl-2-[[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetyl]amino]-4-methylthiophene-3-carboxylate (PubChem CID 166191190) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is ethyl 5-carbamoyl-2-[[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetyl]amino]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-carbamoyl-2-[[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetyl]amino]-4-methylthiophene-3-carboxylate
PubChem CID166191190
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Nameethyl 5-carbamoyl-2-[[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetyl]amino]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN(C)Cc2c(CC)oc3ccccc23)sc(C(N)=O)c1C
InChIInChI=1S/C23H27N3O5S/c1-5-16-15(14-9-7-8-10-17(14)31-16)11-26(4)12-18(27)25-22-19(23(29)30-6-2)13(3)20(32-22)21(24)28/h7-10H,5-6,11-12H2,1-4H3,(H2,24,28)(H,25,27)
InChIKeyKAUSKZXQNJUQOZ-UHFFFAOYSA-N
XLogP3.71
TPSA114.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 5-carbamoyl-2-[[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetyl]amino]-4-methylthiophene-3-carboxylate with MolForge

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Related Compounds

diethyl 5-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 18224647
ethyl 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 8533486
ethyl 5-carbamoyl-2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-methylthiophene-3-carboxylate
CID 17376108
ethyl 5-carbamoyl-2-[[2-[(5-carbamoyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]benzoyl]amino]-4-methylthiophene-3-carboxylate
CID 5142902
ethyl 2-[[2-[(2-anilino-2-oxoethyl)-methylamino]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 55639096
ethyl 5-acetyl-2-[[2-[(3-chlorophenyl)methyl-methylamino]acetyl]amino]-4-methylthiophene-3-carboxylate
CID 9251034
ethyl 2-[[2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8014461
ethyl 5-acetyl-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]thiophene-3-carboxylate
CID 4863579
ethyl 5-(dimethylcarbamoyl)-2-[[2-(2-ethylanilino)acetyl]amino]-4-methylthiophene-3-carboxylate
CID 9105212
ethyl 5-carbamoyl-2-[[2-(2-methoxybenzoyl)oxyacetyl]amino]-4-methylthiophene-3-carboxylate
CID 2118287
ethyl 5-carbamoyl-2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]-4-methylthiophene-3-carboxylate
CID 8529629
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119694657

Frequently Asked Questions

What is the IUPAC name of ethyl 5-carbamoyl-2-[[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetyl]amino]-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 5-carbamoyl-2-[[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetyl]amino]-4-methylthiophene-3-carboxylate (CID 166191190) is ethyl 5-carbamoyl-2-[[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetyl]amino]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-carbamoyl-2-[[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetyl]amino]-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 5-carbamoyl-2-[[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetyl]amino]-4-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CN(C)Cc2c(CC)oc3ccccc23)sc(C(N)=O)c1C.
What is the InChIKey of ethyl 5-carbamoyl-2-[[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetyl]amino]-4-methylthiophene-3-carboxylate?
The InChIKey is KAUSKZXQNJUQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-5-16-15(14-9-7-8-10-17(14)31-16)11-26(4)12-18(27)25-22-19(23(29)30-6-2)13(3)20(32-22)21(24)28/h7-10H,5-6,11-12H2,1-4H3,(H2,24,28)(H,25,27).
What are the key properties of ethyl 5-carbamoyl-2-[[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetyl]amino]-4-methylthiophene-3-carboxylate?
ethyl 5-carbamoyl-2-[[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetyl]amino]-4-methylthiophene-3-carboxylate has a molecular weight of 457.55 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-carbamoyl-2-[[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetyl]amino]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 166191190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).