(E)-N-[3-(trifluoromethyl)phenyl]sulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C19H18F3NO6S — CID 39846619

IUPAC(E)-N-[3-(trifluoromethyl)phenyl]sulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OC
InChIInChI=1S/C19H18F3NO6S/c1-27-15-9-12(10-16(28-2)18(15)29-3)7-8-17(24)23-30(25,26)14-6-4-5-13(11-14)19(20,21)22/h4-11H,1-3H3,(H,23,24)/b8-7+
InChIKeyWKWJRTDSPKDJEV-BQYQJAHWSA-N
MW445.42 g/mol
LogP3.25
Rot. Bonds7

About (E)-N-[3-(trifluoromethyl)phenyl]sulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-[3-(trifluoromethyl)phenyl]sulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 39846619) has the molecular formula C19H18F3NO6S and a molecular weight of 445.42 g/mol. Its IUPAC name is (E)-N-[3-(trifluoromethyl)phenyl]sulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(trifluoromethyl)phenyl]sulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID39846619
Molecular FormulaC19H18F3NO6S
Molecular Weight445.42 g/mol
Exact Mass445.08
IUPAC Name(E)-N-[3-(trifluoromethyl)phenyl]sulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OC
InChIInChI=1S/C19H18F3NO6S/c1-27-15-9-12(10-16(28-2)18(15)29-3)7-8-17(24)23-30(25,26)14-6-4-5-13(11-14)19(20,21)22/h4-11H,1-3H3,(H,23,24)/b8-7+
InChIKeyWKWJRTDSPKDJEV-BQYQJAHWSA-N
XLogP3.25
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-N-[3-(trifluoromethyl)phenyl]sulfonyl-3-(3,4,5-trimethoxyphenyl)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

Related Compounds

(E)-1-[3-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 17391114
3-(trifluoromethyl)-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121315059
N-[3-hydroxy-2-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 121314999
(E)-N-[2,3-dimethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 135359940
(E)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26594326
3-tert-butyl-N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121315042
N-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75618952
1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
CID 23548404
3-(2,6-difluorophenyl)-N-(3,4-dimethoxyphenyl)sulfonylprop-2-enamide
CID 91942457
(E)-3-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]prop-2-enamide
CID 19166546
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3569750
(E)-N-[2,3-dimethoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 90676914

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(trifluoromethyl)phenyl]sulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(trifluoromethyl)phenyl]sulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 39846619) is (E)-N-[3-(trifluoromethyl)phenyl]sulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(trifluoromethyl)phenyl]sulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(trifluoromethyl)phenyl]sulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OC.
What is the InChIKey of (E)-N-[3-(trifluoromethyl)phenyl]sulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is WKWJRTDSPKDJEV-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H18F3NO6S/c1-27-15-9-12(10-16(28-2)18(15)29-3)7-8-17(24)23-30(25,26)14-6-4-5-13(11-14)19(20,21)22/h4-11H,1-3H3,(H,23,24)/b8-7+.
What are the key properties of (E)-N-[3-(trifluoromethyl)phenyl]sulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-[3-(trifluoromethyl)phenyl]sulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 445.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(trifluoromethyl)phenyl]sulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 39846619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).