3-[(Z)-5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]piperidine-2,6-dione

C23H30FNO5S — CID 152958004

IUPAC3-[(Z)-5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]piperidine-2,6-dione
SMILESC[C@@H](CS(=O)(=O)CC/C=C\CC1CCC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C23H30FNO5S/c1-16(19-8-10-20(24)21(13-19)30-14-17-6-7-17)15-31(28,29)12-4-2-3-5-18-9-11-22(26)25-23(18)27/h2-3,8,10,13,16-18H,4-7,9,11-12,14-15H2,1H3,(H,25,26,27)/b3-2-/t16-,18?/m0/s1
InChIKeyUPZYVGWRRIOGOD-MAHYVNHPSA-N
MW451.56 g/mol
LogP3.52
Rot. Bonds11

About 3-[(Z)-5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]piperidine-2,6-dione

3-[(Z)-5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]piperidine-2,6-dione (PubChem CID 152958004) has the molecular formula C23H30FNO5S and a molecular weight of 451.56 g/mol. Its IUPAC name is 3-[(Z)-5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(Z)-5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]piperidine-2,6-dione
PubChem CID152958004
Molecular FormulaC23H30FNO5S
Molecular Weight451.56 g/mol
Exact Mass451.18
IUPAC Name3-[(Z)-5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]piperidine-2,6-dione
SMILESC[C@@H](CS(=O)(=O)CC/C=C\CC1CCC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C23H30FNO5S/c1-16(19-8-10-20(24)21(13-19)30-14-17-6-7-17)15-31(28,29)12-4-2-3-5-18-9-11-22(26)25-23(18)27/h2-3,8,10,13,16-18H,4-7,9,11-12,14-15H2,1H3,(H,25,26,27)/b3-2-/t16-,18?/m0/s1
InChIKeyUPZYVGWRRIOGOD-MAHYVNHPSA-N
XLogP3.52
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(4-Methoxyphenyl)methylsulfonylmethyl]piperidine-2,6-dione
CID 172459185
3-(3-(4-Fluorophenoxy)phenyl)-1-(4-(isobutylsulfonyl)piperidin-1-yl)propan-1-one
CID 76148469
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(2,6-dioxopiperidin-3-yl)pentane-1-sulfonamide
CID 124185671
(E)-N-[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(2,6-dioxopiperidin-3-yl)pent-3-ene-1-sulfonamide
CID 124185674
(E)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-4-(2,6-dioxopiperidin-3-yl)but-2-ene-1-sulfonamide
CID 124185682
(E)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(2,6-dioxopiperidin-3-yl)pent-3-ene-1-sulfonamide
CID 124185685
(E)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-6-(2,6-dioxopiperidin-3-yl)hex-4-ene-1-sulfonamide
CID 124185694
(E)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,6-dioxopiperidin-3-yl)pent-3-ene-1-sulfonamide
CID 124185695
(Z)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,6-dioxopiperidin-3-yl)pent-3-ene-1-sulfonamide
CID 124185698
(E)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,6-dioxopiperidin-3-yl)pent-2-ene-1-sulfonamide
CID 124185701
(Z)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(2,6-dioxopiperidin-3-yl)pent-3-ene-1-sulfonamide
CID 124185866
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-6-(2,6-dioxopiperidin-3-yl)hexane-1-sulfonamide
CID 124185870

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]piperidine-2,6-dione?
The IUPAC name of 3-[(Z)-5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]piperidine-2,6-dione (CID 152958004) is 3-[(Z)-5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(Z)-5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]piperidine-2,6-dione?
The canonical SMILES for 3-[(Z)-5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]piperidine-2,6-dione is C[C@@H](CS(=O)(=O)CC/C=C\CC1CCC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 3-[(Z)-5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]piperidine-2,6-dione?
The InChIKey is UPZYVGWRRIOGOD-MAHYVNHPSA-N. The full InChI is InChI=1S/C23H30FNO5S/c1-16(19-8-10-20(24)21(13-19)30-14-17-6-7-17)15-31(28,29)12-4-2-3-5-18-9-11-22(26)25-23(18)27/h2-3,8,10,13,16-18H,4-7,9,11-12,14-15H2,1H3,(H,25,26,27)/b3-2-/t16-,18?/m0/s1.
What are the key properties of 3-[(Z)-5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]piperidine-2,6-dione?
3-[(Z)-5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]piperidine-2,6-dione has a molecular weight of 451.56 g/mol, XLogP of 3.52, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]piperidine-2,6-dione is sourced from PubChem (CID 152958004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).