N-cyclopropyl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]acetamide

C17H19F3N2O4S — CID 46917306

IUPACN-cyclopropyl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]acetamide
SMILESO=C(C=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)NC1CC1
InChIInChI=1S/C17H19F3N2O4S/c18-17(19,20)26-14-3-5-15(6-4-14)27(24,25)22-9-7-12(8-10-22)11-16(23)21-13-1-2-13/h3-6,11,13H,1-2,7-10H2,(H,21,23)
InChIKeyIQVPBCHGPHJNCZ-UHFFFAOYSA-N
MW404.41 g/mol
LogP2.57
Rot. Bonds5

About N-cyclopropyl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]acetamide

N-cyclopropyl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]acetamide (PubChem CID 46917306) has the molecular formula C17H19F3N2O4S and a molecular weight of 404.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]acetamide
PubChem CID46917306
Molecular FormulaC17H19F3N2O4S
Molecular Weight404.41 g/mol
Exact Mass404.10
IUPAC NameN-cyclopropyl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]acetamide
SMILESO=C(C=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)NC1CC1
InChIInChI=1S/C17H19F3N2O4S/c18-17(19,20)26-14-3-5-15(6-4-14)27(24,25)22-9-7-12(8-10-22)11-16(23)21-13-1-2-13/h3-6,11,13H,1-2,7-10H2,(H,21,23)
InChIKeyIQVPBCHGPHJNCZ-UHFFFAOYSA-N
XLogP2.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]acetamide?
The IUPAC name of N-cyclopropyl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]acetamide (CID 46917306) is N-cyclopropyl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]acetamide?
The canonical SMILES for N-cyclopropyl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]acetamide is O=C(C=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]acetamide?
The InChIKey is IQVPBCHGPHJNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O4S/c18-17(19,20)26-14-3-5-15(6-4-14)27(24,25)22-9-7-12(8-10-22)11-16(23)21-13-1-2-13/h3-6,11,13H,1-2,7-10H2,(H,21,23).
What are the key properties of N-cyclopropyl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]acetamide?
N-cyclopropyl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]acetamide has a molecular weight of 404.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]acetamide is sourced from PubChem (CID 46917306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).