ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-naphthalen-1-yloxyacetyl)amino]thiophene-3-carboxylate

C28H26N2O5S — CID 3859687

IUPACethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-naphthalen-1-yloxyacetyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COc2cccc3ccccc23)sc(C(=O)Nc2ccccc2C)c1C
InChIInChI=1S/C28H26N2O5S/c1-4-34-28(33)24-18(3)25(26(32)29-21-14-8-5-10-17(21)2)36-27(24)30-23(31)16-35-22-15-9-12-19-11-6-7-13-20(19)22/h5-15H,4,16H2,1-3H3,(H,29,32)(H,30,31)
InChIKeyVTIXDSMLTSTSKQ-UHFFFAOYSA-N
MW502.59 g/mol
LogP5.96
Rot. Bonds8

About ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-naphthalen-1-yloxyacetyl)amino]thiophene-3-carboxylate

ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-naphthalen-1-yloxyacetyl)amino]thiophene-3-carboxylate (PubChem CID 3859687) has the molecular formula C28H26N2O5S and a molecular weight of 502.59 g/mol. Its IUPAC name is ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-naphthalen-1-yloxyacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-naphthalen-1-yloxyacetyl)amino]thiophene-3-carboxylate
PubChem CID3859687
Molecular FormulaC28H26N2O5S
Molecular Weight502.59 g/mol
Exact Mass502.16
IUPAC Nameethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-naphthalen-1-yloxyacetyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COc2cccc3ccccc23)sc(C(=O)Nc2ccccc2C)c1C
InChIInChI=1S/C28H26N2O5S/c1-4-34-28(33)24-18(3)25(26(32)29-21-14-8-5-10-17(21)2)36-27(24)30-23(31)16-35-22-15-9-12-19-11-6-7-13-20(19)22/h5-15H,4,16H2,1-3H3,(H,29,32)(H,30,31)
InChIKeyVTIXDSMLTSTSKQ-UHFFFAOYSA-N
XLogP5.96
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.59
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-naphthalen-1-yloxyacetyl)amino]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 1335158
ethyl 5-ethyl-4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]thiophene-3-carboxylate
CID 7860210
ethyl 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 28693999
ethyl 5-[(2-methoxyphenyl)carbamoyl]-4-methyl-2-[(2-phenoxyacetyl)amino]thiophene-3-carboxylate
CID 1038818
ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-(3-phenylpropanoylamino)thiophene-3-carboxylate
CID 1123323
methyl 5-[(2,3-dichlorophenyl)carbamoyl]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 17061949
methyl 5-[(2,3-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-phenoxyacetyl)amino]thiophene-3-carboxylate
CID 1130870
4-O-ethyl 2-O-(2-methoxyethyl) 5-[[2-(2-methoxyphenoxy)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 26218292
ethyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate
CID 17063292
diethyl 3-methyl-5-[[2-(2-propan-2-ylphenoxy)acetyl]amino]thiophene-2,4-dicarboxylate
CID 1051153
diethyl 5-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 1051158
ethyl 4-methyl-5-(methylcarbamoyl)-2-[(2-phenoxyacetyl)amino]thiophene-3-carboxylate
CID 7818194

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-naphthalen-1-yloxyacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-naphthalen-1-yloxyacetyl)amino]thiophene-3-carboxylate (CID 3859687) is ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-naphthalen-1-yloxyacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-naphthalen-1-yloxyacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-naphthalen-1-yloxyacetyl)amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)COc2cccc3ccccc23)sc(C(=O)Nc2ccccc2C)c1C.
What is the InChIKey of ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-naphthalen-1-yloxyacetyl)amino]thiophene-3-carboxylate?
The InChIKey is VTIXDSMLTSTSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O5S/c1-4-34-28(33)24-18(3)25(26(32)29-21-14-8-5-10-17(21)2)36-27(24)30-23(31)16-35-22-15-9-12-19-11-6-7-13-20(19)22/h5-15H,4,16H2,1-3H3,(H,29,32)(H,30,31).
What are the key properties of ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-naphthalen-1-yloxyacetyl)amino]thiophene-3-carboxylate?
ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-naphthalen-1-yloxyacetyl)amino]thiophene-3-carboxylate has a molecular weight of 502.59 g/mol, XLogP of 5.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-naphthalen-1-yloxyacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 3859687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).