[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate

C18H24ClNO3S — CID 7840897

IUPAC[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
SMILESCC1CCC(NC(=O)COC(=O)CCSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClNO3S/c1-13-2-6-15(7-3-13)20-17(21)12-23-18(22)10-11-24-16-8-4-14(19)5-9-16/h4-5,8-9,13,15H,2-3,6-7,10-12H2,1H3,(H,20,21)
InChIKeyMYYIXEOYYJMKNE-UHFFFAOYSA-N
MW369.91 g/mol
LogP4.06
Rot. Bonds7

About [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate (PubChem CID 7840897) has the molecular formula C18H24ClNO3S and a molecular weight of 369.91 g/mol. Its IUPAC name is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate.

Molecular Properties

Compound Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
PubChem CID7840897
Molecular FormulaC18H24ClNO3S
Molecular Weight369.91 g/mol
Exact Mass369.12
IUPAC Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
SMILESCC1CCC(NC(=O)COC(=O)CCSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClNO3S/c1-13-2-6-15(7-3-13)20-17(21)12-23-18(22)10-11-24-16-8-4-14(19)5-9-16/h4-5,8-9,13,15H,2-3,6-7,10-12H2,1H3,(H,20,21)
InChIKeyMYYIXEOYYJMKNE-UHFFFAOYSA-N
XLogP4.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.91
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate with MolForge

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Related Compounds

[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 8578363
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 2583546
[2-(cyclopropylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827370
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 7500066
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 42967430
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7597363
[2-(cyclohexylamino)-2-oxoethyl] 4-phenylsulfanylbutanoate
CID 86932164
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 7840887
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 7843532
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 11911086
butyl 3-(4-chlorophenyl)sulfanylpropanoate
CID 16750592
3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 51203757

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate?
The IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate (CID 7840897) is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate.
What is the SMILES notation for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate?
The canonical SMILES for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate is CC1CCC(NC(=O)COC(=O)CCSc2ccc(Cl)cc2)CC1.
What is the InChIKey of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate?
The InChIKey is MYYIXEOYYJMKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO3S/c1-13-2-6-15(7-3-13)20-17(21)12-23-18(22)10-11-24-16-8-4-14(19)5-9-16/h4-5,8-9,13,15H,2-3,6-7,10-12H2,1H3,(H,20,21).
What are the key properties of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate?
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate has a molecular weight of 369.91 g/mol, XLogP of 4.06, 7 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] 3-(4-chlorophenyl)sulfanylpropanoate is sourced from PubChem (CID 7840897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).