N'-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide

C25H32N4O7S2 — CID 92905060

IUPACN'-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)C[C@@H](C)O1
InChIInChI=1S/C25H32N4O7S2/c1-18-16-29(17-19(2)36-18)38(34,35)23-12-8-21(9-13-23)25(31)27-26-24(30)20-6-10-22(11-7-20)37(32,33)28-14-4-3-5-15-28/h6-13,18-19H,3-5,14-17H2,1-2H3,(H,26,30)(H,27,31)/t18-,19-/m1/s1
InChIKeyJEIDGTUUMDAEHN-RTBURBONSA-N
MW564.69 g/mol
LogP1.73
Rot. Bonds6

About N'-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide

N'-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide (PubChem CID 92905060) has the molecular formula C25H32N4O7S2 and a molecular weight of 564.69 g/mol. Its IUPAC name is N'-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide
PubChem CID92905060
Molecular FormulaC25H32N4O7S2
Molecular Weight564.69 g/mol
Exact Mass564.17
IUPAC NameN'-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)C[C@@H](C)O1
InChIInChI=1S/C25H32N4O7S2/c1-18-16-29(17-19(2)36-18)38(34,35)23-12-8-21(9-13-23)25(31)27-26-24(30)20-6-10-22(11-7-20)37(32,33)28-14-4-3-5-15-28/h6-13,18-19H,3-5,14-17H2,1-2H3,(H,26,30)(H,27,31)/t18-,19-/m1/s1
InChIKeyJEIDGTUUMDAEHN-RTBURBONSA-N
XLogP1.73
TPSA142.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.69
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide with MolForge

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Related Compounds

N'-(4-methylbenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2358276
4-methyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 2439280
N'-benzoyl-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2445760
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4846716
N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-2-fluorobenzohydrazide
CID 4877378
3-(Morpholine-4-sulfonyl)benzohydrazide
CID 877246
N'-(benzenesulfonyl)-4-piperidin-1-ylsulfonylbenzohydrazide
CID 1140002
N'-benzoyl-1-(4-methylphenyl)sulfonylpiperidine-4-carbohydrazide
CID 1472585
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-morpholin-4-ylbenzamide
CID 134139299
2-fluoro-N'-(4-piperidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 2086052
N'-(4-cyanobenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2577173
N-morpholin-4-yl-4-piperidin-1-ylsulfonylbenzamide
CID 2576565

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of N'-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide (CID 92905060) is N'-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide is C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)C[C@@H](C)O1.
What is the InChIKey of N'-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide?
The InChIKey is JEIDGTUUMDAEHN-RTBURBONSA-N. The full InChI is InChI=1S/C25H32N4O7S2/c1-18-16-29(17-19(2)36-18)38(34,35)23-12-8-21(9-13-23)25(31)27-26-24(30)20-6-10-22(11-7-20)37(32,33)28-14-4-3-5-15-28/h6-13,18-19H,3-5,14-17H2,1-2H3,(H,26,30)(H,27,31)/t18-,19-/m1/s1.
What are the key properties of N'-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide?
N'-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide has a molecular weight of 564.69 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 92905060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).