[2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate

C14H19NO3S — CID 2591089

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NC1CCCCC1
InChIInChI=1S/C14H19NO3S/c16-13(15-12-4-2-1-3-5-12)9-18-14(17)8-11-6-7-19-10-11/h6-7,10,12H,1-5,8-9H2,(H,15,16)
InChIKeySWOVAIYGKQMXQT-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.28
Rot. Bonds5

About [2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate

[2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 2591089) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID2591089
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NC1CCCCC1
InChIInChI=1S/C14H19NO3S/c16-13(15-12-4-2-1-3-5-12)9-18-14(17)8-11-6-7-19-10-11/h6-7,10,12H,1-5,8-9H2,(H,15,16)
InChIKeySWOVAIYGKQMXQT-UHFFFAOYSA-N
XLogP2.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9417359
N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide
CID 79111056
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 23735027
N-(2-hydroxycyclohexyl)-2-thiophen-3-ylacetamide
CID 62359044
[2-(cyclooctylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 35564776
[2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2432962
[2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625308
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4668327
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-thiophen-3-ylacetate
CID 2344902
[2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2338102
methyl (6S)-6-methyl-2-[[2-(2-thiophen-3-ylacetyl)oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 7968673
[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2432953

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate (CID 2591089) is [2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate is O=C(COC(=O)Cc1ccsc1)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is SWOVAIYGKQMXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c16-13(15-12-4-2-1-3-5-12)9-18-14(17)8-11-6-7-19-10-11/h6-7,10,12H,1-5,8-9H2,(H,15,16).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 281.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2591089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).