[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate

C19H26FNO3S — CID 55312583

IUPAC[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
SMILESCCN(C(=O)COC(=O)CCSc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C19H26FNO3S/c1-2-21(16-6-4-3-5-7-16)18(22)14-24-19(23)12-13-25-17-10-8-15(20)9-11-17/h8-11,16H,2-7,12-14H2,1H3
InChIKeyZXDWTNJYGVQJKQ-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.03
Rot. Bonds8

About [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate (PubChem CID 55312583) has the molecular formula C19H26FNO3S and a molecular weight of 367.49 g/mol. Its IUPAC name is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate.

Molecular Properties

Compound Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
PubChem CID55312583
Molecular FormulaC19H26FNO3S
Molecular Weight367.49 g/mol
Exact Mass367.16
IUPAC Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
SMILESCCN(C(=O)COC(=O)CCSc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C19H26FNO3S/c1-2-21(16-6-4-3-5-7-16)18(22)14-24-19(23)12-13-25-17-10-8-15(20)9-11-17/h8-11,16H,2-7,12-14H2,1H3
InChIKeyZXDWTNJYGVQJKQ-UHFFFAOYSA-N
XLogP4.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 11911086
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2381526
propyl 3-(4-fluorophenyl)sulfanylpropanoate
CID 78907883
N-cyclohexyl-N-ethyl-2-(4-methylsulfanylphenoxy)acetamide
CID 134007878
ethyl 1-[3-(4-fluorophenyl)sulfanylpropanoyl]piperidine-3-carboxylate
CID 102603469
N-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide
CID 102866164
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 55303964
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368833
N-cyclopentyl-N-ethyl-2-(4-fluorophenyl)acetamide
CID 86926966
[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 33327680
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 42965668
N-cyclohexyl-N-ethyl-2-(4-hydroxyphenyl)sulfanylacetamide
CID 51891785

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate (CID 55312583) is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate.
What is the SMILES notation for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The canonical SMILES for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate is CCN(C(=O)COC(=O)CCSc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The InChIKey is ZXDWTNJYGVQJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO3S/c1-2-21(16-6-4-3-5-7-16)18(22)14-24-19(23)12-13-25-17-10-8-15(20)9-11-17/h8-11,16H,2-7,12-14H2,1H3.
What are the key properties of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate has a molecular weight of 367.49 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate is sourced from PubChem (CID 55312583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).