methyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate

C20H24N2O5S — CID 1131600

IUPACmethyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate
SMILESCCOc1ccccc1NC(=O)c1sc(NC(=O)C(C)C)c(C(=O)OC)c1C
InChIInChI=1S/C20H24N2O5S/c1-6-27-14-10-8-7-9-13(14)21-18(24)16-12(4)15(20(25)26-5)19(28-16)22-17(23)11(2)3/h7-11H,6H2,1-5H3,(H,21,24)(H,22,23)
InChIKeyALLNLXIIFGETIP-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.09
Rot. Bonds7

About methyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate

methyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate (PubChem CID 1131600) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is methyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate
PubChem CID1131600
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Namemethyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate
SMILESCCOc1ccccc1NC(=O)c1sc(NC(=O)C(C)C)c(C(=O)OC)c1C
InChIInChI=1S/C20H24N2O5S/c1-6-27-14-10-8-7-9-13(14)21-18(24)16-12(4)15(20(25)26-5)19(28-16)22-17(23)11(2)3/h7-11H,6H2,1-5H3,(H,21,24)(H,22,23)
InChIKeyALLNLXIIFGETIP-UHFFFAOYSA-N
XLogP4.09
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(2-ethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1131172
methyl 5-[(2-ethoxyphenyl)carbamoyl]-2-[(4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1130816
methyl 2-(cyclopropanecarbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1130862
ethyl 2-[(3-chlorobenzoyl)amino]-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1335221
methyl 2-benzamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071066
methyl 2-[(2-methoxybenzoyl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1131134
methyl 5-[(2-methoxyphenyl)carbamoyl]-4-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
CID 1071074
methyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate
CID 1131520
methyl 2-[(2-ethoxy-2-oxoacetyl)amino]-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 2977261
methyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate
CID 1015049
methyl 5-(diethylcarbamoyl)-2-[(2-ethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 3268263
methyl 5-[(3,5-dimethylphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate
CID 1130941

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate?
The IUPAC name of methyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate (CID 1131600) is methyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate?
The canonical SMILES for methyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate is CCOc1ccccc1NC(=O)c1sc(NC(=O)C(C)C)c(C(=O)OC)c1C.
What is the InChIKey of methyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate?
The InChIKey is ALLNLXIIFGETIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-6-27-14-10-8-7-9-13(14)21-18(24)16-12(4)15(20(25)26-5)19(28-16)22-17(23)11(2)3/h7-11H,6H2,1-5H3,(H,21,24)(H,22,23).
What are the key properties of methyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate?
methyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate has a molecular weight of 404.49 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate is sourced from PubChem (CID 1131600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).