(E)-N-[2-[3-sulfamoyl-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide

C18H19F3N2O5S2 — CID 18409162

IUPAC(E)-N-[2-[3-sulfamoyl-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESNS(=O)(=O)c1cc(CCNC(=O)/C=C/c2cccs2)ccc1OCCOC(F)(F)F
InChIInChI=1S/C18H19F3N2O5S2/c19-18(20,21)28-10-9-27-15-5-3-13(12-16(15)30(22,25)26)7-8-23-17(24)6-4-14-2-1-11-29-14/h1-6,11-12H,7-10H2,(H,23,24)(H2,22,25,26)/b6-4+
InChIKeyLWYHGYLCWZBIKS-GQCTYLIASA-N
MW464.49 g/mol
LogP2.68
Rot. Bonds10

About (E)-N-[2-[3-sulfamoyl-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[2-[3-sulfamoyl-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 18409162) has the molecular formula C18H19F3N2O5S2 and a molecular weight of 464.49 g/mol. Its IUPAC name is (E)-N-[2-[3-sulfamoyl-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[3-sulfamoyl-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID18409162
Molecular FormulaC18H19F3N2O5S2
Molecular Weight464.49 g/mol
Exact Mass464.07
IUPAC Name(E)-N-[2-[3-sulfamoyl-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESNS(=O)(=O)c1cc(CCNC(=O)/C=C/c2cccs2)ccc1OCCOC(F)(F)F
InChIInChI=1S/C18H19F3N2O5S2/c19-18(20,21)28-10-9-27-15-5-3-13(12-16(15)30(22,25)26)7-8-23-17(24)6-4-14-2-1-11-29-14/h1-6,11-12H,7-10H2,(H,23,24)(H2,22,25,26)/b6-4+
InChIKeyLWYHGYLCWZBIKS-GQCTYLIASA-N
XLogP2.68
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[3-sulfamoyl-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-[3-sulfamoyl-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide (CID 18409162) is (E)-N-[2-[3-sulfamoyl-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[3-sulfamoyl-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[3-sulfamoyl-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide is NS(=O)(=O)c1cc(CCNC(=O)/C=C/c2cccs2)ccc1OCCOC(F)(F)F.
What is the InChIKey of (E)-N-[2-[3-sulfamoyl-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is LWYHGYLCWZBIKS-GQCTYLIASA-N. The full InChI is InChI=1S/C18H19F3N2O5S2/c19-18(20,21)28-10-9-27-15-5-3-13(12-16(15)30(22,25)26)7-8-23-17(24)6-4-14-2-1-11-29-14/h1-6,11-12H,7-10H2,(H,23,24)(H2,22,25,26)/b6-4+.
What are the key properties of (E)-N-[2-[3-sulfamoyl-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[2-[3-sulfamoyl-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 464.49 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[3-sulfamoyl-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 18409162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).