(E)-3-(4-ethoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide

C18H19N3O6S — CID 9164878

IUPAC(E)-3-(4-ethoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
SMILESCCOc1ccc(/C=C/C(=O)NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H19N3O6S/c1-3-27-15-8-5-14(6-9-15)7-11-18(22)19-20-28(25,26)16-10-4-13(2)17(12-16)21(23)24/h4-12,20H,3H2,1-2H3,(H,19,22)/b11-7+
InChIKeyMTGOWSLOSDLYMT-YRNVUSSQSA-N
MW405.43 g/mol
LogP2.32
Rot. Bonds8

About (E)-3-(4-ethoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide

(E)-3-(4-ethoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide (PubChem CID 9164878) has the molecular formula C18H19N3O6S and a molecular weight of 405.43 g/mol. Its IUPAC name is (E)-3-(4-ethoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(4-ethoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
PubChem CID9164878
Molecular FormulaC18H19N3O6S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC Name(E)-3-(4-ethoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
SMILESCCOc1ccc(/C=C/C(=O)NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H19N3O6S/c1-3-27-15-8-5-14(6-9-15)7-11-18(22)19-20-28(25,26)16-10-4-13(2)17(12-16)21(23)24/h4-12,20H,3H2,1-2H3,(H,19,22)/b11-7+
InChIKeyMTGOWSLOSDLYMT-YRNVUSSQSA-N
XLogP2.32
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
CID 9164920
(E)-3-(3-fluoro-4-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
CID 9208056
(E)-3-(2-methoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
CID 9164918
(E)-N'-(4-ethoxyphenyl)sulfonyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enehydrazide
CID 9270537
(Z)-N-(4-cyanophenyl)sulfonyl-3-(4-ethoxyphenyl)prop-2-enamide
CID 97456090
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide
CID 52636492
2-(3-chlorophenoxy)-N'-(4-methyl-3-nitrophenyl)sulfonylacetohydrazide
CID 9164873
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227042
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314781
3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide
CID 26680885
N'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide
CID 26187335
N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617249

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide?
The IUPAC name of (E)-3-(4-ethoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide (CID 9164878) is (E)-3-(4-ethoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide.
What is the SMILES notation for (E)-3-(4-ethoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide?
The canonical SMILES for (E)-3-(4-ethoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide is CCOc1ccc(/C=C/C(=O)NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of (E)-3-(4-ethoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide?
The InChIKey is MTGOWSLOSDLYMT-YRNVUSSQSA-N. The full InChI is InChI=1S/C18H19N3O6S/c1-3-27-15-8-5-14(6-9-15)7-11-18(22)19-20-28(25,26)16-10-4-13(2)17(12-16)21(23)24/h4-12,20H,3H2,1-2H3,(H,19,22)/b11-7+.
What are the key properties of (E)-3-(4-ethoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide?
(E)-3-(4-ethoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide has a molecular weight of 405.43 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxyphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide is sourced from PubChem (CID 9164878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).