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

C23H22N2O6S — CID 17064928

IUPACmethyl 2-benzamido-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2cc(OC)ccc2OC)c1C
InChIInChI=1S/C23H22N2O6S/c1-13-18(23(28)31-4)22(25-20(26)14-8-6-5-7-9-14)32-19(13)21(27)24-16-12-15(29-2)10-11-17(16)30-3/h5-12H,1-4H3,(H,24,27)(H,25,26)
InChIKeyFUNSDFBAATVFHY-UHFFFAOYSA-N
MW454.50 g/mol
LogP4.36
Rot. Bonds7

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

methyl 2-benzamido-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate (PubChem CID 17064928) has the molecular formula C23H22N2O6S and a molecular weight of 454.50 g/mol. Its IUPAC name is methyl 2-benzamido-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-benzamido-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
PubChem CID17064928
Molecular FormulaC23H22N2O6S
Molecular Weight454.50 g/mol
Exact Mass454.12
IUPAC Namemethyl 2-benzamido-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2cc(OC)ccc2OC)c1C
InChIInChI=1S/C23H22N2O6S/c1-13-18(23(28)31-4)22(25-20(26)14-8-6-5-7-9-14)32-19(13)21(27)24-16-12-15(29-2)10-11-17(16)30-3/h5-12H,1-4H3,(H,24,27)(H,25,26)
InChIKeyFUNSDFBAATVFHY-UHFFFAOYSA-N
XLogP4.36
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-benzamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071066
methyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 17064901
methyl 2-[(3-methoxybenzoyl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071062
methyl 2-(butanoylamino)-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17063919
methyl 5-[(2-fluorophenyl)carbamoyl]-2-[(3-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1015054
methyl 5-[(2-ethoxyphenyl)carbamoyl]-2-[(4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1130816
methyl 2-[(2-methoxybenzoyl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1131134
methyl 2-benzamido-5-benzoyl-4-methylthiophene-3-carboxylate
CID 982691
methyl 2-benzamido-5-[(2,3-dichlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17061110
ethyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[(2-ethoxy-2-oxoacetyl)amino]-4-methylthiophene-3-carboxylate
CID 17064269
methyl 5-[(2,5-dichlorophenyl)carbamoyl]-2-[(4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 17063966
ethyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17063166

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamido-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-benzamido-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate (CID 17064928) is methyl 2-benzamido-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-benzamido-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-benzamido-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2cc(OC)ccc2OC)c1C.
What is the InChIKey of methyl 2-benzamido-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The InChIKey is FUNSDFBAATVFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6S/c1-13-18(23(28)31-4)22(25-20(26)14-8-6-5-7-9-14)32-19(13)21(27)24-16-12-15(29-2)10-11-17(16)30-3/h5-12H,1-4H3,(H,24,27)(H,25,26).
What are the key properties of methyl 2-benzamido-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
methyl 2-benzamido-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate has a molecular weight of 454.50 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamido-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 17064928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).