(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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Related Compounds

(E)-N-[2-[4-(2-ethoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 18409151
(E)-N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-pyridin-2-ylprop-2-enamide
CID 18409174
5-(2-aminoethyl)-2-[2-(trifluoromethoxy)ethoxy]benzenesulfonamide
CID 18409149
N-[2-[4-methoxy-3-[methylcarbamoyl(sulfanyl)sulfamoyl]phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 90766291
(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 17407233
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide
CID 11304701
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylmethoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide
CID 18318624
N-[2-(1H-imidazol-5-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 77021910
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 2418056
(E)-N-[2-(3-bromophenoxy)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 47330638
(E)-N-(2-amino-2-ethylbutyl)-3-thiophen-2-ylprop-2-enamide
CID 81483652
3-(2,4-dimethoxyphenyl)-N-[2-(4-iodo-3-sulfamoylphenyl)ethyl]prop-2-enamide
CID 54491467

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).