diethyl 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedioate

C17H23N3O7S — CID 21236964

IUPACdiethyl 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedioate
SMILESCCOC(=O)C(=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OCC
InChIInChI=1S/C17H23N3O7S/c1-3-26-16(21)15(17(22)27-4-2)19-18-13-5-7-14(8-6-13)28(23,24)20-9-11-25-12-10-20/h5-8,18H,3-4,9-12H2,1-2H3
InChIKeyDCGWWTTVNLOYAG-UHFFFAOYSA-N
MW413.45 g/mol
LogP0.60
Rot. Bonds8

About diethyl 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedioate

diethyl 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedioate (PubChem CID 21236964) has the molecular formula C17H23N3O7S and a molecular weight of 413.45 g/mol. Its IUPAC name is diethyl 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedioate.

Molecular Properties

Compound Namediethyl 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedioate
PubChem CID21236964
Molecular FormulaC17H23N3O7S
Molecular Weight413.45 g/mol
Exact Mass413.13
IUPAC Namediethyl 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedioate
SMILESCCOC(=O)C(=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OCC
InChIInChI=1S/C17H23N3O7S/c1-3-26-16(21)15(17(22)27-4-2)19-18-13-5-7-14(8-6-13)28(23,24)20-9-11-25-12-10-20/h5-8,18H,3-4,9-12H2,1-2H3
InChIKeyDCGWWTTVNLOYAG-UHFFFAOYSA-N
XLogP0.60
TPSA123.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedinitrile
CID 832953
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4671972
ethyl N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamate
CID 9472159
N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide
CID 9083306
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
CID 559409
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 8760066
4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 121062034
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedioate?
The IUPAC name of diethyl 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedioate (CID 21236964) is diethyl 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedioate.
What is the SMILES notation for diethyl 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedioate?
The canonical SMILES for diethyl 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedioate is CCOC(=O)C(=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OCC.
What is the InChIKey of diethyl 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedioate?
The InChIKey is DCGWWTTVNLOYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O7S/c1-3-26-16(21)15(17(22)27-4-2)19-18-13-5-7-14(8-6-13)28(23,24)20-9-11-25-12-10-20/h5-8,18H,3-4,9-12H2,1-2H3.
What are the key properties of diethyl 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedioate?
diethyl 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedioate has a molecular weight of 413.45 g/mol, XLogP of 0.60, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedioate is sourced from PubChem (CID 21236964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).