N'-[2-(4-methylphenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide

C19H23N3O6S2 — CID 24980910

IUPACN'-[2-(4-methylphenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C19H23N3O6S2/c1-14-2-4-15(5-3-14)28-13-18(24)21-20-17(23)12-16-6-7-19(29-16)30(25,26)22-8-10-27-11-9-22/h2-7H,8-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyBUXCSXYMDPTLAA-UHFFFAOYSA-N
MW453.54 g/mol
LogP0.85
Rot. Bonds7

About N'-[2-(4-methylphenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide

N'-[2-(4-methylphenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide (PubChem CID 24980910) has the molecular formula C19H23N3O6S2 and a molecular weight of 453.54 g/mol. Its IUPAC name is N'-[2-(4-methylphenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methylphenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide
PubChem CID24980910
Molecular FormulaC19H23N3O6S2
Molecular Weight453.54 g/mol
Exact Mass453.10
IUPAC NameN'-[2-(4-methylphenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C19H23N3O6S2/c1-14-2-4-15(5-3-14)28-13-18(24)21-20-17(23)12-16-6-7-19(29-16)30(25,26)22-8-10-27-11-9-22/h2-7H,8-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyBUXCSXYMDPTLAA-UHFFFAOYSA-N
XLogP0.85
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 50.85
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-methylphenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide?
The IUPAC name of N'-[2-(4-methylphenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide (CID 24980910) is N'-[2-(4-methylphenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(4-methylphenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide?
The canonical SMILES for N'-[2-(4-methylphenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide is Cc1ccc(OCC(=O)NNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1.
What is the InChIKey of N'-[2-(4-methylphenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide?
The InChIKey is BUXCSXYMDPTLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S2/c1-14-2-4-15(5-3-14)28-13-18(24)21-20-17(23)12-16-6-7-19(29-16)30(25,26)22-8-10-27-11-9-22/h2-7H,8-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-[2-(4-methylphenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide?
N'-[2-(4-methylphenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide has a molecular weight of 453.54 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylphenoxy)acetyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetohydrazide is sourced from PubChem (CID 24980910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).