N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide

C19H21N3O6S — CID 2514778

IUPACN'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C19H21N3O6S/c1-27-16-7-5-14(6-8-16)18(23)20-21-19(24)15-3-2-4-17(13-15)29(25,26)22-9-11-28-12-10-22/h2-8,13H,9-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyIHVYXWFMLYSLJC-UHFFFAOYSA-N
MW419.46 g/mol
LogP0.79
Rot. Bonds5

About N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide

N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 2514778) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID2514778
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC NameN'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C19H21N3O6S/c1-27-16-7-5-14(6-8-16)18(23)20-21-19(24)15-3-2-4-17(13-15)29(25,26)22-9-11-28-12-10-22/h2-8,13H,9-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyIHVYXWFMLYSLJC-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
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide
CID 4847004
N'-phenylsulfonyl-4-methoxybenzohydrazide
CID 795528
4-methoxy-N'-(4-methoxyphenyl)sulfonylbenzohydrazide
CID 789969
N-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 1107083
N'-{3-[(4-methyl-1-piperidinyl)sulfonyl]benzoyl}-2-furohydrazide
CID 2204256
N-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 2329116
[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
3,5-dimethoxy-N'-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]benzohydrazide
CID 5025592
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 6900339

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide (CID 2514778) is N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide is COc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is IHVYXWFMLYSLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-27-16-7-5-14(6-8-16)18(23)20-21-19(24)15-3-2-4-17(13-15)29(25,26)22-9-11-28-12-10-22/h2-8,13H,9-12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide?
N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide 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 N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2514778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).