[2-(cyclohexylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate

C14H19NO3S — CID 2355136

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)NC2CCCCC2)s1
InChIInChI=1S/C14H19NO3S/c1-10-7-8-12(19-10)14(17)18-9-13(16)15-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,15,16)
InChIKeyOVBVWBDMGITJNN-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.66
Rot. Bonds4

About [2-(cyclohexylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate

[2-(cyclohexylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate (PubChem CID 2355136) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
PubChem CID2355136
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)NC2CCCCC2)s1
InChIInChI=1S/C14H19NO3S/c1-10-7-8-12(19-10)14(17)18-9-13(16)15-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,15,16)
InChIKeyOVBVWBDMGITJNN-UHFFFAOYSA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-Oxo-2-(3-phenylpropylamino)ethyl] 3-methylthiophene-2-carboxylate
CID 2099233
[2-(Cyclopropylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2407246
[2-(Ethylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2418493
[2-(Cyclopentylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2432541
[(2-Phenylethyl)carbamoyl]methyl 3-methylthiophene-2-carboxylate
CID 2436450
Thiophene-2-carboxylic acid 1-cyclopropylcarbamoyl-ethyl ester
CID 3227620
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 3508798
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4282910
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 4649226
[2-Oxo-2-(propan-2-ylamino)ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 4780707
[2-(cyclohexylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8653731
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] thiophene-2-carboxylate
CID 4043857

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate (CID 2355136) is [2-(cyclohexylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)OCC(=O)NC2CCCCC2)s1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The InChIKey is OVBVWBDMGITJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-10-7-8-12(19-10)14(17)18-9-13(16)15-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,15,16).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
[2-(cyclohexylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate has a molecular weight of 281.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 2355136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).