(2R)-2-(4-cyclobutylsulfonylphenyl)-4-ethyl-6-methoxyhexanoic acid

C19H28O5S — CID 11588721

IUPAC(2R)-2-(4-cyclobutylsulfonylphenyl)-4-ethyl-6-methoxyhexanoic acid
SMILESCCC(CCOC)C[C@@H](C(=O)O)c1ccc(S(=O)(=O)C2CCC2)cc1
InChIInChI=1S/C19H28O5S/c1-3-14(11-12-24-2)13-18(19(20)21)15-7-9-17(10-8-15)25(22,23)16-5-4-6-16/h7-10,14,16,18H,3-6,11-13H2,1-2H3,(H,20,21)/t14?,18-/m1/s1
InChIKeyJNZKWVVDMKMCFZ-XPKAQORNSA-N
MW368.50 g/mol
LogP3.63
Rot. Bonds10

About (2R)-2-(4-cyclobutylsulfonylphenyl)-4-ethyl-6-methoxyhexanoic acid

(2R)-2-(4-cyclobutylsulfonylphenyl)-4-ethyl-6-methoxyhexanoic acid (PubChem CID 11588721) has the molecular formula C19H28O5S and a molecular weight of 368.50 g/mol. Its IUPAC name is (2R)-2-(4-cyclobutylsulfonylphenyl)-4-ethyl-6-methoxyhexanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-cyclobutylsulfonylphenyl)-4-ethyl-6-methoxyhexanoic acid
PubChem CID11588721
Molecular FormulaC19H28O5S
Molecular Weight368.50 g/mol
Exact Mass368.17
IUPAC Name(2R)-2-(4-cyclobutylsulfonylphenyl)-4-ethyl-6-methoxyhexanoic acid
SMILESCCC(CCOC)C[C@@H](C(=O)O)c1ccc(S(=O)(=O)C2CCC2)cc1
InChIInChI=1S/C19H28O5S/c1-3-14(11-12-24-2)13-18(19(20)21)15-7-9-17(10-8-15)25(22,23)16-5-4-6-16/h7-10,14,16,18H,3-6,11-13H2,1-2H3,(H,20,21)/t14?,18-/m1/s1
InChIKeyJNZKWVVDMKMCFZ-XPKAQORNSA-N
XLogP3.63
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyclobutylsulfonylphenyl)-4-ethyl-6-methoxyhexanoic acid?
The IUPAC name of (2R)-2-(4-cyclobutylsulfonylphenyl)-4-ethyl-6-methoxyhexanoic acid (CID 11588721) is (2R)-2-(4-cyclobutylsulfonylphenyl)-4-ethyl-6-methoxyhexanoic acid.
What is the SMILES notation for (2R)-2-(4-cyclobutylsulfonylphenyl)-4-ethyl-6-methoxyhexanoic acid?
The canonical SMILES for (2R)-2-(4-cyclobutylsulfonylphenyl)-4-ethyl-6-methoxyhexanoic acid is CCC(CCOC)C[C@@H](C(=O)O)c1ccc(S(=O)(=O)C2CCC2)cc1.
What is the InChIKey of (2R)-2-(4-cyclobutylsulfonylphenyl)-4-ethyl-6-methoxyhexanoic acid?
The InChIKey is JNZKWVVDMKMCFZ-XPKAQORNSA-N. The full InChI is InChI=1S/C19H28O5S/c1-3-14(11-12-24-2)13-18(19(20)21)15-7-9-17(10-8-15)25(22,23)16-5-4-6-16/h7-10,14,16,18H,3-6,11-13H2,1-2H3,(H,20,21)/t14?,18-/m1/s1.
What are the key properties of (2R)-2-(4-cyclobutylsulfonylphenyl)-4-ethyl-6-methoxyhexanoic acid?
(2R)-2-(4-cyclobutylsulfonylphenyl)-4-ethyl-6-methoxyhexanoic acid has a molecular weight of 368.50 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyclobutylsulfonylphenyl)-4-ethyl-6-methoxyhexanoic acid is sourced from PubChem (CID 11588721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).