N'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide

C20H23N3O7S — CID 26654349

IUPACN'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1ccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C20H23N3O7S/c1-28-16-5-7-17(8-6-16)30-14-19(24)21-22-20(25)15-3-2-4-18(13-15)31(26,27)23-9-11-29-12-10-23/h2-8,13H,9-12,14H2,1H3,(H,21,24)(H,22,25)
InChIKeyQFFWMKPWJYPNGQ-UHFFFAOYSA-N
MW449.49 g/mol
LogP0.56
Rot. Bonds7

About N'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide

N'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 26654349) has the molecular formula C20H23N3O7S and a molecular weight of 449.49 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID26654349
Molecular FormulaC20H23N3O7S
Molecular Weight449.49 g/mol
Exact Mass449.13
IUPAC NameN'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
SMILESCOc1ccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C20H23N3O7S/c1-28-16-5-7-17(8-6-16)30-14-19(24)21-22-20(25)15-3-2-4-18(13-15)31(26,27)23-9-11-29-12-10-23/h2-8,13H,9-12,14H2,1H3,(H,21,24)(H,22,25)
InChIKeyQFFWMKPWJYPNGQ-UHFFFAOYSA-N
XLogP0.56
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methoxyphenyl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 43002307
N'-[4-(4-methylphenoxy)butanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24642809
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 55313560
N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 52713270
3,5-dimethyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24642744
(4-methoxyphenyl)methyl (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoate
CID 16577345
3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 26654250
2-(4-methoxyphenyl)ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 2662298
N'-(4-ethoxybenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 27620051
2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24536047
N-[2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2997539
2-chloro-N-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 2078880

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of N'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide (CID 26654349) is N'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide is COc1ccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is QFFWMKPWJYPNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O7S/c1-28-16-5-7-17(8-6-16)30-14-19(24)21-22-20(25)15-3-2-4-18(13-15)31(26,27)23-9-11-29-12-10-23/h2-8,13H,9-12,14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide?
N'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 449.49 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 26654349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).