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

C24H31N3O6S — CID 24677372

IUPAC4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C24H31N3O6S/c1-2-3-4-5-16-33-21-10-6-19(7-11-21)23(28)25-26-24(29)20-8-12-22(13-9-20)34(30,31)27-14-17-32-18-15-27/h6-13H,2-5,14-18H2,1H3,(H,25,28)(H,26,29)
InChIKeyCWLMLBVYEONTRU-UHFFFAOYSA-N
MW489.59 g/mol
LogP2.74
Rot. Bonds10

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

4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide (PubChem CID 24677372) has the molecular formula C24H31N3O6S and a molecular weight of 489.59 g/mol. Its IUPAC name is 4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
PubChem CID24677372
Molecular FormulaC24H31N3O6S
Molecular Weight489.59 g/mol
Exact Mass489.19
IUPAC Name4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C24H31N3O6S/c1-2-3-4-5-16-33-21-10-6-19(7-11-21)23(28)25-26-24(29)20-8-12-22(13-9-20)34(30,31)27-14-17-32-18-15-27/h6-13H,2-5,14-18H2,1H3,(H,25,28)(H,26,29)
InChIKeyCWLMLBVYEONTRU-UHFFFAOYSA-N
XLogP2.74
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-heptoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4500684
4-morpholin-4-ylsulfonyl-N-nonylbenzamide
CID 46550002
N-hexyl-4-morpholin-4-ylsulfonylbenzamide
CID 26264686
4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 17112612
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide
CID 55343091
N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 7927777
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
4-heptoxy-N-(morpholine-4-carbothioyl)benzamide
CID 4950894
N-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine
CID 55569720
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone
CID 3399674
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl (2S)-2-benzamidopropanoate
CID 55934865

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
The IUPAC name of 4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide (CID 24677372) is 4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide.
What is the SMILES notation for 4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
The canonical SMILES for 4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
The InChIKey is CWLMLBVYEONTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6S/c1-2-3-4-5-16-33-21-10-6-19(7-11-21)23(28)25-26-24(29)20-8-12-22(13-9-20)34(30,31)27-14-17-32-18-15-27/h6-13H,2-5,14-18H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide?
4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide has a molecular weight of 489.59 g/mol, XLogP of 2.74, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide is sourced from PubChem (CID 24677372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).