[2-[[3-ethoxycarbonyl-4-methyl-5-(phenylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate

C24H23N3O7S — CID 154858927

IUPAC[2-[[3-ethoxycarbonyl-4-methyl-5-(phenylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)c2ccn(C)c(=O)c2)sc(C(=O)Nc2ccccc2)c1C
InChIInChI=1S/C24H23N3O7S/c1-4-33-24(32)19-14(2)20(21(30)25-16-8-6-5-7-9-16)35-22(19)26-17(28)13-34-23(31)15-10-11-27(3)18(29)12-15/h5-12H,4,13H2,1-3H3,(H,25,30)(H,26,28)
InChIKeyMLWNDVKYARARDC-UHFFFAOYSA-N
MW497.53 g/mol
LogP2.98
Rot. Bonds8

About [2-[[3-ethoxycarbonyl-4-methyl-5-(phenylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate

[2-[[3-ethoxycarbonyl-4-methyl-5-(phenylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate (PubChem CID 154858927) has the molecular formula C24H23N3O7S and a molecular weight of 497.53 g/mol. Its IUPAC name is [2-[[3-ethoxycarbonyl-4-methyl-5-(phenylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate.

Molecular Properties

Compound Name[2-[[3-ethoxycarbonyl-4-methyl-5-(phenylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate
PubChem CID154858927
Molecular FormulaC24H23N3O7S
Molecular Weight497.53 g/mol
Exact Mass497.13
IUPAC Name[2-[[3-ethoxycarbonyl-4-methyl-5-(phenylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)c2ccn(C)c(=O)c2)sc(C(=O)Nc2ccccc2)c1C
InChIInChI=1S/C24H23N3O7S/c1-4-33-24(32)19-14(2)20(21(30)25-16-8-6-5-7-9-16)35-22(19)26-17(28)13-34-23(31)15-10-11-27(3)18(29)12-15/h5-12H,4,13H2,1-3H3,(H,25,30)(H,26,28)
InChIKeyMLWNDVKYARARDC-UHFFFAOYSA-N
XLogP2.98
TPSA132.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [2-[[3-ethoxycarbonyl-4-methyl-5-(phenylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate with MolForge

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Related Compounds

diethyl 5-[(2-benzoyloxyacetyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 2516867
ethyl 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 28693999
ethyl 2-benzamido-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 994187
ethyl 2-[11-(1,3-dioxoisoindol-2-yl)undecanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 3338728
ethyl 2-[[2-(3-acetamidophenyl)sulfanylacetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 18908770
diethyl 5-[[2-(4-acetamidobenzoyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 16520809
ethyl 4-methyl-2-[(2-phenoxyacetyl)amino]-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
CID 17061992
ethyl 4-methyl-2-[[2-[methyl-(1-methylpiperidin-4-yl)amino]acetyl]amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 4008008
ethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 28693937
diethyl 5-[[2-(4-methoxycarbonylbenzoyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 16506471
ethyl 2-[[2-(4-hydroxybenzoyl)oxyacetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 2558628
ethyl 2-benzamido-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 2167737

Frequently Asked Questions

What is the IUPAC name of [2-[[3-ethoxycarbonyl-4-methyl-5-(phenylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate?
The IUPAC name of [2-[[3-ethoxycarbonyl-4-methyl-5-(phenylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate (CID 154858927) is [2-[[3-ethoxycarbonyl-4-methyl-5-(phenylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate.
What is the SMILES notation for [2-[[3-ethoxycarbonyl-4-methyl-5-(phenylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate?
The canonical SMILES for [2-[[3-ethoxycarbonyl-4-methyl-5-(phenylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)c2ccn(C)c(=O)c2)sc(C(=O)Nc2ccccc2)c1C.
What is the InChIKey of [2-[[3-ethoxycarbonyl-4-methyl-5-(phenylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate?
The InChIKey is MLWNDVKYARARDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O7S/c1-4-33-24(32)19-14(2)20(21(30)25-16-8-6-5-7-9-16)35-22(19)26-17(28)13-34-23(31)15-10-11-27(3)18(29)12-15/h5-12H,4,13H2,1-3H3,(H,25,30)(H,26,28).
What are the key properties of [2-[[3-ethoxycarbonyl-4-methyl-5-(phenylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate?
[2-[[3-ethoxycarbonyl-4-methyl-5-(phenylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate has a molecular weight of 497.53 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-ethoxycarbonyl-4-methyl-5-(phenylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate is sourced from PubChem (CID 154858927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).