N'-[4-(4-methylphenoxy)butanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide

C22H27N3O6S — CID 24642809

IUPACN'-[4-(4-methylphenoxy)butanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCc1ccc(OCCCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H27N3O6S/c1-17-7-9-19(10-8-17)31-13-3-6-21(26)23-24-22(27)18-4-2-5-20(16-18)32(28,29)25-11-14-30-15-12-25/h2,4-5,7-10,16H,3,6,11-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyFYVNBWNZJNYXOA-UHFFFAOYSA-N
MW461.54 g/mol
LogP1.64
Rot. Bonds8

About N'-[4-(4-methylphenoxy)butanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide

N'-[4-(4-methylphenoxy)butanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 24642809) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is N'-[4-(4-methylphenoxy)butanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[4-(4-methylphenoxy)butanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID24642809
Molecular FormulaC22H27N3O6S
Molecular Weight461.54 g/mol
Exact Mass461.16
IUPAC NameN'-[4-(4-methylphenoxy)butanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCc1ccc(OCCCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H27N3O6S/c1-17-7-9-19(10-8-17)31-13-3-6-21(26)23-24-22(27)18-4-2-5-20(16-18)32(28,29)25-11-14-30-15-12-25/h2,4-5,7-10,16H,3,6,11-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyFYVNBWNZJNYXOA-UHFFFAOYSA-N
XLogP1.64
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 51.64
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

N'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 26654349
N'-[2-(4-methoxyphenyl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 43002307
3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24642744
N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 30211712
N'-[2-(4-methylphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 29205480
3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 26654250
4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24677372
1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 55696713
N'-(4-ethoxybenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 27620051
2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 2078880
2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 7699330
1-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 24583542

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-methylphenoxy)butanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-[4-(4-methylphenoxy)butanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide (CID 24642809) is N'-[4-(4-methylphenoxy)butanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-[4-(4-methylphenoxy)butanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-[4-(4-methylphenoxy)butanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide is Cc1ccc(OCCCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N'-[4-(4-methylphenoxy)butanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is FYVNBWNZJNYXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S/c1-17-7-9-19(10-8-17)31-13-3-6-21(26)23-24-22(27)18-4-2-5-20(16-18)32(28,29)25-11-14-30-15-12-25/h2,4-5,7-10,16H,3,6,11-15H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-[4-(4-methylphenoxy)butanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
N'-[4-(4-methylphenoxy)butanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 461.54 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-methylphenoxy)butanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 24642809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).