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

C25H32N4O7S2 — CID 4255883

IUPACN'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)CC(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)
InChIKeyJEIDGTUUMDAEHN-UHFFFAOYSA-N
MW564.69 g/mol
LogP1.73
Rot. Bonds6

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

N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide (PubChem CID 4255883) has the molecular formula C25H32N4O7S2 and a molecular weight of 564.69 g/mol. Its IUPAC name is N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide
PubChem CID4255883
Molecular FormulaC25H32N4O7S2
Molecular Weight564.69 g/mol
Exact Mass564.17
IUPAC NameN'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)CC(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)
InChIKeyJEIDGTUUMDAEHN-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide (CID 4255883) is N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide is CC1CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)CC(C)O1.
What is the InChIKey of N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide?
The InChIKey is JEIDGTUUMDAEHN-UHFFFAOYSA-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).
What are the key properties of N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide?
N'-[4-(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-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-4-piperidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 4255883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).