[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-hydroxycyclohexane-1-carboxylate

C16H22N2O5S — CID 24626790

IUPAC[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-hydroxycyclohexane-1-carboxylate
SMILESO=C(COC(=O)C1(O)CCCCC1)NC(=O)NCCc1cccs1
InChIInChI=1S/C16H22N2O5S/c19-13(11-23-14(20)16(22)7-2-1-3-8-16)18-15(21)17-9-6-12-5-4-10-24-12/h4-5,10,22H,1-3,6-9,11H2,(H2,17,18,19,21)
InChIKeyBTJFERDVTVPIBD-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.35
Rot. Bonds6

About [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-hydroxycyclohexane-1-carboxylate

[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-hydroxycyclohexane-1-carboxylate (PubChem CID 24626790) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-hydroxycyclohexane-1-carboxylate
PubChem CID24626790
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-hydroxycyclohexane-1-carboxylate
SMILESO=C(COC(=O)C1(O)CCCCC1)NC(=O)NCCc1cccs1
InChIInChI=1S/C16H22N2O5S/c19-13(11-23-14(20)16(22)7-2-1-3-8-16)18-15(21)17-9-6-12-5-4-10-24-12/h4-5,10,22H,1-3,6-9,11H2,(H2,17,18,19,21)
InChIKeyBTJFERDVTVPIBD-UHFFFAOYSA-N
XLogP1.35
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 27717102
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 7604734
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate
CID 55384222
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate
CID 55386197
1-(2-thiophen-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61191882
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate
CID 24531108
[2-(methylcarbamoylamino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
CID 26039897
1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one
CID 103449732
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 46821409
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 55384969
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 28562331
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 55384609

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-hydroxycyclohexane-1-carboxylate?
The IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-hydroxycyclohexane-1-carboxylate (CID 24626790) is [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-hydroxycyclohexane-1-carboxylate is O=C(COC(=O)C1(O)CCCCC1)NC(=O)NCCc1cccs1.
What is the InChIKey of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-hydroxycyclohexane-1-carboxylate?
The InChIKey is BTJFERDVTVPIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c19-13(11-23-14(20)16(22)7-2-1-3-8-16)18-15(21)17-9-6-12-5-4-10-24-12/h4-5,10,22H,1-3,6-9,11H2,(H2,17,18,19,21).
What are the key properties of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-hydroxycyclohexane-1-carboxylate?
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-hydroxycyclohexane-1-carboxylate has a molecular weight of 354.43 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 24626790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).