3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide

C20H23N3O5S — CID 24642744

IUPAC3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
SMILESCc1cc(C)cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C20H23N3O5S/c1-14-10-15(2)12-17(11-14)20(25)22-21-19(24)16-4-3-5-18(13-16)29(26,27)23-6-8-28-9-7-23/h3-5,10-13H,6-9H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyVLPCQCGNSJHFLK-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.40
Rot. Bonds4

About 3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide

3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide (PubChem CID 24642744) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
PubChem CID24642744
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
SMILESCc1cc(C)cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C20H23N3O5S/c1-14-10-15(2)12-17(11-14)20(25)22-21-19(24)16-4-3-5-18(13-16)29(26,27)23-6-8-28-9-7-23/h3-5,10-13H,6-9H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyVLPCQCGNSJHFLK-UHFFFAOYSA-N
XLogP1.40
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 26654250
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 17016191
1-ethyl-2-methyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide
CID 2102444
N'-[4-(4-methylphenoxy)butanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24642809
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
N'-[2-(4-methoxyphenyl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 43002307
N'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 26654349
N'-(3-morpholin-4-ylsulfonylbenzoyl)-2-oxochromene-3-carbohydrazide
CID 2543495
N-[(2S)-1-(2-benzoylhydrazinyl)-3-methyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 35513041
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
The IUPAC name of 3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide (CID 24642744) is 3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide.
What is the SMILES notation for 3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
The canonical SMILES for 3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide is Cc1cc(C)cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
The InChIKey is VLPCQCGNSJHFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-14-10-15(2)12-17(11-14)20(25)22-21-19(24)16-4-3-5-18(13-16)29(26,27)23-6-8-28-9-7-23/h3-5,10-13H,6-9H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide has a molecular weight of 417.49 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide is sourced from PubChem (CID 24642744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).