3-(1,3-benzoxazol-2-yl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide

C18H19N3O5S — CID 9427644

IUPAC3-(1,3-benzoxazol-2-yl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)CCc2nc3ccccc3o2)cc1
InChIInChI=1S/C18H19N3O5S/c1-2-25-13-7-9-14(10-8-13)27(23,24)21-20-17(22)11-12-18-19-15-5-3-4-6-16(15)26-18/h3-10,21H,2,11-12H2,1H3,(H,20,22)
InChIKeyIYSYWZNGFJJJGZ-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.17
Rot. Bonds8

About 3-(1,3-benzoxazol-2-yl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide

3-(1,3-benzoxazol-2-yl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide (PubChem CID 9427644) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide
PubChem CID9427644
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name3-(1,3-benzoxazol-2-yl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)CCc2nc3ccccc3o2)cc1
InChIInChI=1S/C18H19N3O5S/c1-2-25-13-7-9-14(10-8-13)27(23,24)21-20-17(22)11-12-18-19-15-5-3-4-6-16(15)26-18/h3-10,21H,2,11-12H2,1H3,(H,20,22)
InChIKeyIYSYWZNGFJJJGZ-UHFFFAOYSA-N
XLogP2.17
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N',6-N'-bis[(4-ethoxyphenyl)sulfonyl]hexanedihydrazide
CID 3116496
N'-(4-ethoxyphenyl)sulfonyl-2-phenylacetohydrazide
CID 7974595
3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide
CID 9243942
N'-(4-ethoxyphenyl)sulfonyl-2-phenylsulfanylacetohydrazide
CID 7478638
3-(1,3-benzoxazol-2-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 9404274
N'-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)acetohydrazide
CID 7974521
N-[2-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]-2-oxoethyl]benzamide
CID 9244251
3-(1,3-benzoxazol-2-yl)-N-[2-(3,4-dimethylphenoxy)ethyl]propanamide
CID 100510603
2-(1,3-dioxoisoindol-2-yl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
CID 9244319
2-[3-(1,3-benzoxazol-2-yl)propanoylamino]-2-phenylbutanoic acid
CID 119201844
N'-(4-ethoxyphenyl)sulfonyl-4-morpholin-4-yl-4-oxobutanehydrazide
CID 9244445
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110711828

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide (CID 9427644) is 3-(1,3-benzoxazol-2-yl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide is CCOc1ccc(S(=O)(=O)NNC(=O)CCc2nc3ccccc3o2)cc1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide?
The InChIKey is IYSYWZNGFJJJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-2-25-13-7-9-14(10-8-13)27(23,24)21-20-17(22)11-12-18-19-15-5-3-4-6-16(15)26-18/h3-10,21H,2,11-12H2,1H3,(H,20,22).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide?
3-(1,3-benzoxazol-2-yl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide has a molecular weight of 389.43 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide is sourced from PubChem (CID 9427644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).