ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[2-(2-methylindol-1-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate

C23H25N3O6S — CID 34771944

IUPACethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[2-(2-methylindol-1-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)Cn2c(C)cc3ccccc32)sc(C(=O)NC)c1C
InChIInChI=1S/C23H25N3O6S/c1-5-31-23(30)19-14(3)20(21(29)24-4)33-22(19)25-17(27)12-32-18(28)11-26-13(2)10-15-8-6-7-9-16(15)26/h6-10H,5,11-12H2,1-4H3,(H,24,29)(H,25,27)
InChIKeyRZMNVAJGDSDBRH-UHFFFAOYSA-N
MW471.54 g/mol
LogP3.04
Rot. Bonds8

About ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[2-(2-methylindol-1-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate

ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[2-(2-methylindol-1-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate (PubChem CID 34771944) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[2-(2-methylindol-1-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[2-(2-methylindol-1-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate
PubChem CID34771944
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC Nameethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[2-(2-methylindol-1-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)Cn2c(C)cc3ccccc32)sc(C(=O)NC)c1C
InChIInChI=1S/C23H25N3O6S/c1-5-31-23(30)19-14(3)20(21(29)24-4)33-22(19)25-17(27)12-32-18(28)11-26-13(2)10-15-8-6-7-9-16(15)26/h6-10H,5,11-12H2,1-4H3,(H,24,29)(H,25,27)
InChIKeyRZMNVAJGDSDBRH-UHFFFAOYSA-N
XLogP3.04
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[2-(2-methylindol-1-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 4-methyl-5-(methylcarbamoyl)-2-[(2-phenoxyacetyl)amino]thiophene-3-carboxylate
CID 7818194
ethyl 2-[[2-[(3S)-3-acetamido-3-phenylpropanoyl]oxyacetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 41044772
[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 3882674
ethyl 2-[[2-(4-hydroxybenzoyl)oxyacetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 2558628
ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 29485146
ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxylate
CID 7254831
ethyl 2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 8829031
ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[[(1R)-1-phenylethyl]amino]acetyl]amino]thiophene-3-carboxylate
CID 2684463
ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[(1R,2S)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 7777856
ethyl 2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 17469407
ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[(E)-pent-2-enoyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 8673349
ethyl 2-[[2-(4-acetylphenoxy)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 7763825

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[2-(2-methylindol-1-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[2-(2-methylindol-1-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate (CID 34771944) is ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[2-(2-methylindol-1-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[2-(2-methylindol-1-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[2-(2-methylindol-1-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)Cn2c(C)cc3ccccc32)sc(C(=O)NC)c1C.
What is the InChIKey of ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[2-(2-methylindol-1-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate?
The InChIKey is RZMNVAJGDSDBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-5-31-23(30)19-14(3)20(21(29)24-4)33-22(19)25-17(27)12-32-18(28)11-26-13(2)10-15-8-6-7-9-16(15)26/h6-10H,5,11-12H2,1-4H3,(H,24,29)(H,25,27).
What are the key properties of ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[2-(2-methylindol-1-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate?
ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[2-(2-methylindol-1-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate has a molecular weight of 471.54 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[2-(2-methylindol-1-yl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 34771944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).