(Z)-N-cyclopropyl-2-methoxy-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide

C19H23F3N2O5S — CID 46917451

IUPAC(Z)-N-cyclopropyl-2-methoxy-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide
SMILESCO/C(=C\C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)C(=O)NC1CC1
InChIInChI=1S/C19H23F3N2O5S/c1-28-17(18(25)23-14-2-3-14)12-13-8-10-24(11-9-13)30(26,27)16-6-4-15(5-7-16)29-19(20,21)22/h4-7,12-14H,2-3,8-11H2,1H3,(H,23,25)/b17-12-
InChIKeyYYYHETKAWXRPOK-ATVHPVEESA-N
MW448.46 g/mol
LogP2.79
Rot. Bonds7

About (Z)-N-cyclopropyl-2-methoxy-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide

(Z)-N-cyclopropyl-2-methoxy-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide (PubChem CID 46917451) has the molecular formula C19H23F3N2O5S and a molecular weight of 448.46 g/mol. Its IUPAC name is (Z)-N-cyclopropyl-2-methoxy-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-cyclopropyl-2-methoxy-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide
PubChem CID46917451
Molecular FormulaC19H23F3N2O5S
Molecular Weight448.46 g/mol
Exact Mass448.13
IUPAC Name(Z)-N-cyclopropyl-2-methoxy-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide
SMILESCO/C(=C\C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)C(=O)NC1CC1
InChIInChI=1S/C19H23F3N2O5S/c1-28-17(18(25)23-14-2-3-14)12-13-8-10-24(11-9-13)30(26,27)16-6-4-15(5-7-16)29-19(20,21)22/h4-7,12-14H,2-3,8-11H2,1H3,(H,23,25)/b17-12-
InChIKeyYYYHETKAWXRPOK-ATVHPVEESA-N
XLogP2.79
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-N-cyclopropyl-2-methoxy-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N-cyclopropyl-2-methoxy-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide?
The IUPAC name of (Z)-N-cyclopropyl-2-methoxy-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide (CID 46917451) is (Z)-N-cyclopropyl-2-methoxy-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide.
What is the SMILES notation for (Z)-N-cyclopropyl-2-methoxy-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide?
The canonical SMILES for (Z)-N-cyclopropyl-2-methoxy-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide is CO/C(=C\C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)C(=O)NC1CC1.
What is the InChIKey of (Z)-N-cyclopropyl-2-methoxy-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide?
The InChIKey is YYYHETKAWXRPOK-ATVHPVEESA-N. The full InChI is InChI=1S/C19H23F3N2O5S/c1-28-17(18(25)23-14-2-3-14)12-13-8-10-24(11-9-13)30(26,27)16-6-4-15(5-7-16)29-19(20,21)22/h4-7,12-14H,2-3,8-11H2,1H3,(H,23,25)/b17-12-.
What are the key properties of (Z)-N-cyclopropyl-2-methoxy-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide?
(Z)-N-cyclopropyl-2-methoxy-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide has a molecular weight of 448.46 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-cyclopropyl-2-methoxy-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 46917451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).