(E)-N'-(4-ethoxyphenyl)sulfonyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enehydrazide

C18H19FN2O5S — CID 9270537

IUPAC(E)-N'-(4-ethoxyphenyl)sulfonyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enehydrazide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)/C=C/c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C18H19FN2O5S/c1-3-26-14-6-8-15(9-7-14)27(23,24)21-20-18(22)11-5-13-4-10-17(25-2)16(19)12-13/h4-12,21H,3H2,1-2H3,(H,20,22)/b11-5+
InChIKeyLKNWUSUCXOBXNL-VZUCSPMQSA-N
MW394.42 g/mol
LogP2.26
Rot. Bonds8

About (E)-N'-(4-ethoxyphenyl)sulfonyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enehydrazide

(E)-N'-(4-ethoxyphenyl)sulfonyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enehydrazide (PubChem CID 9270537) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is (E)-N'-(4-ethoxyphenyl)sulfonyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-(4-ethoxyphenyl)sulfonyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enehydrazide
PubChem CID9270537
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name(E)-N'-(4-ethoxyphenyl)sulfonyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enehydrazide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)/C=C/c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C18H19FN2O5S/c1-3-26-14-6-8-15(9-7-14)27(23,24)21-20-18(22)11-5-13-4-10-17(25-2)16(19)12-13/h4-12,21H,3H2,1-2H3,(H,20,22)/b11-5+
InChIKeyLKNWUSUCXOBXNL-VZUCSPMQSA-N
XLogP2.26
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N'-(4-ethoxyphenyl)sulfonyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enehydrazide 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)-3-(3-fluoro-4-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
CID 9208056
(E)-3-(4-ethoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
CID 9164878
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide
CID 52636492
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoate
CID 9001183
(E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide
CID 60666436
(E)-3-(3,4-diethoxyphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]prop-2-enamide
CID 30752253
(Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide
CID 97456090
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82723472
3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide
CID 9243942
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 7550629
1-N',6-N'-bis[(4-ethoxyphenyl)sulfonyl]hexanedihydrazide
CID 3116496

Frequently Asked Questions

What is the IUPAC name of (E)-N'-(4-ethoxyphenyl)sulfonyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-(4-ethoxyphenyl)sulfonyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enehydrazide (CID 9270537) is (E)-N'-(4-ethoxyphenyl)sulfonyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-(4-ethoxyphenyl)sulfonyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-(4-ethoxyphenyl)sulfonyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enehydrazide is CCOc1ccc(S(=O)(=O)NNC(=O)/C=C/c2ccc(OC)c(F)c2)cc1.
What is the InChIKey of (E)-N'-(4-ethoxyphenyl)sulfonyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enehydrazide?
The InChIKey is LKNWUSUCXOBXNL-VZUCSPMQSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c1-3-26-14-6-8-15(9-7-14)27(23,24)21-20-18(22)11-5-13-4-10-17(25-2)16(19)12-13/h4-12,21H,3H2,1-2H3,(H,20,22)/b11-5+.
What are the key properties of (E)-N'-(4-ethoxyphenyl)sulfonyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enehydrazide?
(E)-N'-(4-ethoxyphenyl)sulfonyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enehydrazide has a molecular weight of 394.42 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(4-ethoxyphenyl)sulfonyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enehydrazide is sourced from PubChem (CID 9270537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).