methyl 2-(cyclopropanecarbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

C20H22N2O5S — CID 1130862

IUPACmethyl 2-(cyclopropanecarbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
SMILESCCOc1ccccc1NC(=O)c1sc(NC(=O)C2CC2)c(C(=O)OC)c1C
InChIInChI=1S/C20H22N2O5S/c1-4-27-14-8-6-5-7-13(14)21-18(24)16-11(2)15(20(25)26-3)19(28-16)22-17(23)12-9-10-12/h5-8,12H,4,9-10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyPNJJMVIGCFIPPT-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.84
Rot. Bonds7

About methyl 2-(cyclopropanecarbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

methyl 2-(cyclopropanecarbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate (PubChem CID 1130862) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is methyl 2-(cyclopropanecarbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyclopropanecarbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
PubChem CID1130862
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Namemethyl 2-(cyclopropanecarbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
SMILESCCOc1ccccc1NC(=O)c1sc(NC(=O)C2CC2)c(C(=O)OC)c1C
InChIInChI=1S/C20H22N2O5S/c1-4-27-14-8-6-5-7-13(14)21-18(24)16-11(2)15(20(25)26-3)19(28-16)22-17(23)12-9-10-12/h5-8,12H,4,9-10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyPNJJMVIGCFIPPT-UHFFFAOYSA-N
XLogP3.84
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-(cyclopropanecarbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 2-(cyclopropanecarbonylamino)-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1092221
methyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate
CID 1131600
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-(cyclohexanecarbonylamino)-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17064247
methyl 2-[(2-ethoxy-2-oxoacetyl)amino]-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 2977261
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
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
4-(cyclopropanecarbonylamino)-N-(2-ethoxyphenyl)benzamide
CID 2995907

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropanecarbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-(cyclopropanecarbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate (CID 1130862) is methyl 2-(cyclopropanecarbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-(cyclopropanecarbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-(cyclopropanecarbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate is CCOc1ccccc1NC(=O)c1sc(NC(=O)C2CC2)c(C(=O)OC)c1C.
What is the InChIKey of methyl 2-(cyclopropanecarbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The InChIKey is PNJJMVIGCFIPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-4-27-14-8-6-5-7-13(14)21-18(24)16-11(2)15(20(25)26-3)19(28-16)22-17(23)12-9-10-12/h5-8,12H,4,9-10H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of methyl 2-(cyclopropanecarbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
methyl 2-(cyclopropanecarbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate has a molecular weight of 402.47 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropanecarbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 1130862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).