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

C22H26ClN3O7S — CID 25161723

IUPACN'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H26ClN3O7S/c1-15-11-17(23)4-6-18(15)33-14-22(28)25-24-21(27)13-16-3-5-19(31-2)20(12-16)34(29,30)26-7-9-32-10-8-26/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyJBQTXIOGRTXEDE-UHFFFAOYSA-N
MW511.98 g/mol
LogP1.45
Rot. Bonds8

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

N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide (PubChem CID 25161723) has the molecular formula C22H26ClN3O7S and a molecular weight of 511.98 g/mol. Its IUPAC name is N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide
PubChem CID25161723
Molecular FormulaC22H26ClN3O7S
Molecular Weight511.98 g/mol
Exact Mass511.12
IUPAC NameN'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H26ClN3O7S/c1-15-11-17(23)4-6-18(15)33-14-22(28)25-24-21(27)13-16-3-5-19(31-2)20(12-16)34(29,30)26-7-9-32-10-8-26/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyJBQTXIOGRTXEDE-UHFFFAOYSA-N
XLogP1.45
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.98
LogP ≤ 51.45
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide?
The IUPAC name of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide (CID 25161723) is N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide.
What is the SMILES notation for N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide?
The canonical SMILES for N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide is COc1ccc(CC(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide?
The InChIKey is JBQTXIOGRTXEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O7S/c1-15-11-17(23)4-6-18(15)33-14-22(28)25-24-21(27)13-16-3-5-19(31-2)20(12-16)34(29,30)26-7-9-32-10-8-26/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide?
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide has a molecular weight of 511.98 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetohydrazide is sourced from PubChem (CID 25161723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).