4-methoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide

C19H21N3O6S — CID 1146584

IUPAC4-methoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H21N3O6S/c1-27-16-6-2-14(3-7-16)18(23)20-21-19(24)15-4-8-17(9-5-15)29(25,26)22-10-12-28-13-11-22/h2-9H,10-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyNRRDICWCOFYFCX-UHFFFAOYSA-N
MW419.46 g/mol
LogP0.79
Rot. Bonds5

About 4-methoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide

4-methoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide (PubChem CID 1146584) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is 4-methoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
PubChem CID1146584
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name4-methoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H21N3O6S/c1-27-16-6-2-14(3-7-16)18(23)20-21-19(24)15-4-8-17(9-5-15)29(25,26)22-10-12-28-13-11-22/h2-9H,10-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyNRRDICWCOFYFCX-UHFFFAOYSA-N
XLogP0.79
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2528547
4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2545591
4-[(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)carbamoyl]-N,N-diethylbenzenesulfonamide
CID 4875542
4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide
CID 2291802
N'-phenylsulfonyl-4-methoxybenzohydrazide
CID 795528
4-methoxy-N-[[4-[(p-tolylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 130431472
4-methoxy-N'-(4-methoxyphenyl)sulfonylbenzohydrazide
CID 789969
N-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 1107083
4-(dimethylsulfamoyl)-N-[2-(4-ethylphenoxy)ethyl]benzamide
CID 2194745
[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2494767
4-((2,6-dimethylmorpholino)sulfonyl)-N'-(4-methoxybenzoyl)benzohydrazide
CID 4423007
4-(diethylsulfamoyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 4587907

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
The IUPAC name of 4-methoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide (CID 1146584) is 4-methoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide.
What is the SMILES notation for 4-methoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
The canonical SMILES for 4-methoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide is COc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-methoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
The InChIKey is NRRDICWCOFYFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-27-16-6-2-14(3-7-16)18(23)20-21-19(24)15-4-8-17(9-5-15)29(25,26)22-10-12-28-13-11-22/h2-9H,10-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 4-methoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
4-methoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide has a molecular weight of 419.46 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide is sourced from PubChem (CID 1146584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).