methyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate

C24H24N2O7S — CID 17064901

IUPACmethyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccccc2OC)sc(C(=O)Nc2cc(OC)ccc2OC)c1C
InChIInChI=1S/C24H24N2O7S/c1-13-19(24(29)33-5)23(26-21(27)15-8-6-7-9-17(15)31-3)34-20(13)22(28)25-16-12-14(30-2)10-11-18(16)32-4/h6-12H,1-5H3,(H,25,28)(H,26,27)
InChIKeyFCGPTGXVIZZVLC-UHFFFAOYSA-N
MW484.53 g/mol
LogP4.37
Rot. Bonds8

About methyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate

methyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate (PubChem CID 17064901) has the molecular formula C24H24N2O7S and a molecular weight of 484.53 g/mol. Its IUPAC name is methyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
PubChem CID17064901
Molecular FormulaC24H24N2O7S
Molecular Weight484.53 g/mol
Exact Mass484.13
IUPAC Namemethyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccccc2OC)sc(C(=O)Nc2cc(OC)ccc2OC)c1C
InChIInChI=1S/C24H24N2O7S/c1-13-19(24(29)33-5)23(26-21(27)15-8-6-7-9-17(15)31-3)34-20(13)22(28)25-16-12-14(30-2)10-11-18(16)32-4/h6-12H,1-5H3,(H,25,28)(H,26,27)
InChIKeyFCGPTGXVIZZVLC-UHFFFAOYSA-N
XLogP4.37
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate with MolForge

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Related Compounds

methyl 2-[(2-methoxybenzoyl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1131134
methyl 2-benzamido-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17064928
methyl 5-[(2-ethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1131172
methyl 2-(butanoylamino)-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17063919
methyl 2-[(3-methoxybenzoyl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071062
methyl 2-benzamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071066
4-O-ethyl 2-O-methyl 5-[(2-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 23935099
ethyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[(2-ethoxy-2-oxoacetyl)amino]-4-methylthiophene-3-carboxylate
CID 17064269
ethyl 2-[(2-methoxybenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 28693934
methyl 5-[(2-methoxyphenyl)carbamoyl]-4-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
CID 1071074
ethyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate
CID 17063292
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071063

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate (CID 17064901) is methyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2ccccc2OC)sc(C(=O)Nc2cc(OC)ccc2OC)c1C.
What is the InChIKey of methyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate?
The InChIKey is FCGPTGXVIZZVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O7S/c1-13-19(24(29)33-5)23(26-21(27)15-8-6-7-9-17(15)31-3)34-20(13)22(28)25-16-12-14(30-2)10-11-18(16)32-4/h6-12H,1-5H3,(H,25,28)(H,26,27).
What are the key properties of methyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate?
methyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate has a molecular weight of 484.53 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 17064901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).