ethyl 3-amino-4-(cyclohexylcarbamoyl)-5-methylthiophene-2-carboxylate

C15H22N2O3S — CID 767205

IUPACethyl 3-amino-4-(cyclohexylcarbamoyl)-5-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(C)c(C(=O)NC2CCCCC2)c1N
InChIInChI=1S/C15H22N2O3S/c1-3-20-15(19)13-12(16)11(9(2)21-13)14(18)17-10-7-5-4-6-8-10/h10H,3-8,16H2,1-2H3,(H,17,18)
InChIKeyOOLGQFLVDJSBNB-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.88
Rot. Bonds4

About ethyl 3-amino-4-(cyclohexylcarbamoyl)-5-methylthiophene-2-carboxylate

ethyl 3-amino-4-(cyclohexylcarbamoyl)-5-methylthiophene-2-carboxylate (PubChem CID 767205) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is ethyl 3-amino-4-(cyclohexylcarbamoyl)-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-(cyclohexylcarbamoyl)-5-methylthiophene-2-carboxylate
PubChem CID767205
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Nameethyl 3-amino-4-(cyclohexylcarbamoyl)-5-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(C)c(C(=O)NC2CCCCC2)c1N
InChIInChI=1S/C15H22N2O3S/c1-3-20-15(19)13-12(16)11(9(2)21-13)14(18)17-10-7-5-4-6-8-10/h10H,3-8,16H2,1-2H3,(H,17,18)
InChIKeyOOLGQFLVDJSBNB-UHFFFAOYSA-N
XLogP2.88
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Amino-5-methyl-4-[[3-(4-morpholinyl)propylamino]-oxomethyl]-2-thiophenecarboxylic acid ethyl ester
CID 658837
Ethyl 3-amino-4-((3-(dimethylamino)-2,2-dimethylpropyl)carbamoyl)-5-methylthiophene-2-carboxylate
CID 1911604
Ethyl 2-amino-5-(1-azepanylcarbonyl)-4-methyl-3-thiophenecarboxylate
CID 774300
Ethyl 2-amino-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 671084
Ethyl 2-amino-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate
CID 698635
Ethyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 735026
ethyl 2-(acetylamino)-8-oxo-4H,5H,6H,7H-thiopheno[3,2-e]azepine-3-carboxylate
CID 646136
Spiro[cyclohexane-1,2'-(1,2,3,4-tetrahydro-1-oxo-5-methyl-7-ethoxycarbonylthieno[3,4-d]pyrimidine)]
CID 659774
Ethyl 3-ethyl-5-methyl-4-oxo-3,4-dihydrothieno[3,4-d][1,2,3]triazine-7-carboxylate
CID 660050
Isopropyl 2-amino-5-[(diethylamino)carbonyl]-4-methylthiophene-3-carboxylate
CID 840126
Ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate
CID 1094331
Ethyl 2-acetamido-5-(cyclopentylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 752638

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-(cyclohexylcarbamoyl)-5-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-(cyclohexylcarbamoyl)-5-methylthiophene-2-carboxylate (CID 767205) is ethyl 3-amino-4-(cyclohexylcarbamoyl)-5-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-(cyclohexylcarbamoyl)-5-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-(cyclohexylcarbamoyl)-5-methylthiophene-2-carboxylate is CCOC(=O)c1sc(C)c(C(=O)NC2CCCCC2)c1N.
What is the InChIKey of ethyl 3-amino-4-(cyclohexylcarbamoyl)-5-methylthiophene-2-carboxylate?
The InChIKey is OOLGQFLVDJSBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-20-15(19)13-12(16)11(9(2)21-13)14(18)17-10-7-5-4-6-8-10/h10H,3-8,16H2,1-2H3,(H,17,18).
What are the key properties of ethyl 3-amino-4-(cyclohexylcarbamoyl)-5-methylthiophene-2-carboxylate?
ethyl 3-amino-4-(cyclohexylcarbamoyl)-5-methylthiophene-2-carboxylate has a molecular weight of 310.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-(cyclohexylcarbamoyl)-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 767205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).