3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide

C23H27N3O7S — CID 4037434

IUPAC3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide
SMILESCOc1ccc(C=CC(=O)NNC(=O)COc2cccc(C)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H27N3O7S/c1-17-4-3-5-19(14-17)33-16-23(28)25-24-22(27)9-7-18-6-8-20(31-2)21(15-18)34(29,30)26-10-12-32-13-11-26/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyHFCZVCXDXFXLAY-UHFFFAOYSA-N
MW489.55 g/mol
LogP1.26
Rot. Bonds8

About 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide

3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide (PubChem CID 4037434) has the molecular formula C23H27N3O7S and a molecular weight of 489.55 g/mol. Its IUPAC name is 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide.

Molecular Properties

Compound Name3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide
PubChem CID4037434
Molecular FormulaC23H27N3O7S
Molecular Weight489.55 g/mol
Exact Mass489.16
IUPAC Name3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide
SMILESCOc1ccc(C=CC(=O)NNC(=O)COc2cccc(C)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H27N3O7S/c1-17-4-3-5-19(14-17)33-16-23(28)25-24-22(27)9-7-18-6-8-20(31-2)21(15-18)34(29,30)26-10-12-32-13-11-26/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyHFCZVCXDXFXLAY-UHFFFAOYSA-N
XLogP1.26
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 71903951
(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 2679093
3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-pentan-3-ylprop-2-enamide
CID 4801939
3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 5188502
N-(2-ethylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 4800980
(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2622921
N-(furan-2-ylmethyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 4317747
(E)-N-(2-tert-butylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2117973
(E)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 2704705
(E)-N-(4-bromophenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2704846
N-(4-acetylphenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 4853468
N-(4-bromophenyl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 3361660

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide?
The IUPAC name of 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide (CID 4037434) is 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide.
What is the SMILES notation for 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide?
The canonical SMILES for 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide is COc1ccc(C=CC(=O)NNC(=O)COc2cccc(C)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide?
The InChIKey is HFCZVCXDXFXLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O7S/c1-17-4-3-5-19(14-17)33-16-23(28)25-24-22(27)9-7-18-6-8-20(31-2)21(15-18)34(29,30)26-10-12-32-13-11-26/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide?
3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide has a molecular weight of 489.55 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide is sourced from PubChem (CID 4037434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).