methyl 2-(cyclohexanecarbonylamino)-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

C23H26N2O6S — CID 17064247

IUPACmethyl 2-(cyclohexanecarbonylamino)-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1ccccc1NC(=O)c1sc(NC(=O)C2CCCCC2)c(C(=O)OC)c1C
InChIInChI=1S/C23H26N2O6S/c1-13-17(23(29)31-3)21(25-19(26)14-9-5-4-6-10-14)32-18(13)20(27)24-16-12-8-7-11-15(16)22(28)30-2/h7-8,11-12,14H,4-6,9-10H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyHZSRAKLKZVJFGV-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.40
Rot. Bonds6

About methyl 2-(cyclohexanecarbonylamino)-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

methyl 2-(cyclohexanecarbonylamino)-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate (PubChem CID 17064247) has the molecular formula C23H26N2O6S and a molecular weight of 458.54 g/mol. Its IUPAC name is methyl 2-(cyclohexanecarbonylamino)-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyclohexanecarbonylamino)-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
PubChem CID17064247
Molecular FormulaC23H26N2O6S
Molecular Weight458.54 g/mol
Exact Mass458.15
IUPAC Namemethyl 2-(cyclohexanecarbonylamino)-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1ccccc1NC(=O)c1sc(NC(=O)C2CCCCC2)c(C(=O)OC)c1C
InChIInChI=1S/C23H26N2O6S/c1-13-17(23(29)31-3)21(25-19(26)14-9-5-4-6-10-14)32-18(13)20(27)24-16-12-8-7-11-15(16)22(28)30-2/h7-8,11-12,14H,4-6,9-10H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyHZSRAKLKZVJFGV-UHFFFAOYSA-N
XLogP4.40
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

methyl 2-[(2-ethoxy-2-oxoacetyl)amino]-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 2977261
methyl 2-(cyclopropanecarbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1130862
ethyl 2-(cyclopropanecarbonylamino)-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1092221
methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17063855
methyl 2-[(2-methoxybenzoyl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1131134
ethyl 2-[(2-fluorobenzoyl)amino]-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17065098
methyl 2-(cyclohexanecarbonylamino)-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 2231943
methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112988416
methyl 2-[(2-chlorobenzoyl)amino]-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
CID 17061365
methyl 2-acetamido-5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1129121
ethyl 5-acetyl-2-(cyclohexanecarbonylamino)-4-methylthiophene-3-carboxylate
CID 706257
methyl 2-benzamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071066

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclohexanecarbonylamino)-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-(cyclohexanecarbonylamino)-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate (CID 17064247) is methyl 2-(cyclohexanecarbonylamino)-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-(cyclohexanecarbonylamino)-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-(cyclohexanecarbonylamino)-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate is COC(=O)c1ccccc1NC(=O)c1sc(NC(=O)C2CCCCC2)c(C(=O)OC)c1C.
What is the InChIKey of methyl 2-(cyclohexanecarbonylamino)-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The InChIKey is HZSRAKLKZVJFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6S/c1-13-17(23(29)31-3)21(25-19(26)14-9-5-4-6-10-14)32-18(13)20(27)24-16-12-8-7-11-15(16)22(28)30-2/h7-8,11-12,14H,4-6,9-10H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of methyl 2-(cyclohexanecarbonylamino)-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
methyl 2-(cyclohexanecarbonylamino)-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate has a molecular weight of 458.54 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohexanecarbonylamino)-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 17064247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).