2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(4-methylphenoxy)acetyl]acetohydrazide

C22H27N3O7S — CID 24980918

IUPAC2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(4-methylphenoxy)acetyl]acetohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)COc2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H27N3O7S/c1-16-3-6-18(7-4-16)32-15-22(27)24-23-21(26)14-17-5-8-19(30-2)20(13-17)33(28,29)25-9-11-31-12-10-25/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyXINYASJQNPBQLQ-UHFFFAOYSA-N
MW477.54 g/mol
LogP0.79
Rot. Bonds8

About 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(4-methylphenoxy)acetyl]acetohydrazide

2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(4-methylphenoxy)acetyl]acetohydrazide (PubChem CID 24980918) has the molecular formula C22H27N3O7S and a molecular weight of 477.54 g/mol. Its IUPAC name is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(4-methylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(4-methylphenoxy)acetyl]acetohydrazide
PubChem CID24980918
Molecular FormulaC22H27N3O7S
Molecular Weight477.54 g/mol
Exact Mass477.16
IUPAC Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(4-methylphenoxy)acetyl]acetohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)COc2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H27N3O7S/c1-16-3-6-18(7-4-16)32-15-22(27)24-23-21(26)14-17-5-8-19(30-2)20(13-17)33(28,29)25-9-11-31-12-10-25/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyXINYASJQNPBQLQ-UHFFFAOYSA-N
XLogP0.79
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 50.79
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

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
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylbutyl)acetamide
CID 2574238
4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24816759
N'-[2-(4-methylphenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide
CID 24980910
4-fluoro-N'-[2-(2-methoxyphenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2439824
N'-(4-methoxybenzoyl)-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2514778
N-[(4-fluorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4827594
4-methoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 1146584
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2093858
3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide
CID 4847098

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(4-methylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(4-methylphenoxy)acetyl]acetohydrazide (CID 24980918) is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(4-methylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(4-methylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(4-methylphenoxy)acetyl]acetohydrazide is COc1ccc(CC(=O)NNC(=O)COc2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(4-methylphenoxy)acetyl]acetohydrazide?
The InChIKey is XINYASJQNPBQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O7S/c1-16-3-6-18(7-4-16)32-15-22(27)24-23-21(26)14-17-5-8-19(30-2)20(13-17)33(28,29)25-9-11-31-12-10-25/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(4-methylphenoxy)acetyl]acetohydrazide?
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(4-methylphenoxy)acetyl]acetohydrazide has a molecular weight of 477.54 g/mol, XLogP of 0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N'-[2-(4-methylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 24980918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).