[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate

C17H22FNO3S — CID 7355193

IUPAC[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESCC1CCC(NC(=O)COC(=O)CSc2ccccc2F)CC1
InChIInChI=1S/C17H22FNO3S/c1-12-6-8-13(9-7-12)19-16(20)10-22-17(21)11-23-15-5-3-2-4-14(15)18/h2-5,12-13H,6-11H2,1H3,(H,19,20)
InChIKeyIMVAROKWFZHNEP-UHFFFAOYSA-N
MW339.43 g/mol
LogP3.16
Rot. Bonds6

About [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate (PubChem CID 7355193) has the molecular formula C17H22FNO3S and a molecular weight of 339.43 g/mol. Its IUPAC name is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
PubChem CID7355193
Molecular FormulaC17H22FNO3S
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESCC1CCC(NC(=O)COC(=O)CSc2ccccc2F)CC1
InChIInChI=1S/C17H22FNO3S/c1-12-6-8-13(9-7-12)19-16(20)10-22-17(21)11-23-15-5-3-2-4-14(15)18/h2-5,12-13H,6-11H2,1H3,(H,19,20)
InChIKeyIMVAROKWFZHNEP-UHFFFAOYSA-N
XLogP3.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Benzylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2357308
[2-(Cycloheptylamino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 24687520
[2-(Cyclohexylmethylamino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 2458106
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 3888275
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate
CID 24819842
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-(4-fluorophenyl)sulfanylacetate
CID 24979827
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 24982764
[1-[(2-Methylcyclohexyl)amino]-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate
CID 24982898
[2-[1-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 25161535
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylphenyl)sulfanylacetate
CID 25163664
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 2571522
[2-(Benzylamino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 4788393

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate (CID 7355193) is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The canonical SMILES for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate is CC1CCC(NC(=O)COC(=O)CSc2ccccc2F)CC1.
What is the InChIKey of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The InChIKey is IMVAROKWFZHNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3S/c1-12-6-8-13(9-7-12)19-16(20)10-22-17(21)11-23-15-5-3-2-4-14(15)18/h2-5,12-13H,6-11H2,1H3,(H,19,20).
What are the key properties of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate has a molecular weight of 339.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 7355193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).