N-[2-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]-2-oxoethyl]benzamide

C17H19N3O5S — CID 9244251

IUPACN-[2-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]-2-oxoethyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19N3O5S/c1-2-25-14-8-10-15(11-9-14)26(23,24)20-19-16(21)12-18-17(22)13-6-4-3-5-7-13/h3-11,20H,2,12H2,1H3,(H,18,22)(H,19,21)
InChIKeyCEYXOXQQNSJPCB-UHFFFAOYSA-N
MW377.42 g/mol
LogP0.82
Rot. Bonds8

About N-[2-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]-2-oxoethyl]benzamide

N-[2-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]-2-oxoethyl]benzamide (PubChem CID 9244251) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[2-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]-2-oxoethyl]benzamide
PubChem CID9244251
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC NameN-[2-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]-2-oxoethyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19N3O5S/c1-2-25-14-8-10-15(11-9-14)26(23,24)20-19-16(21)12-18-17(22)13-6-4-3-5-7-13/h3-11,20H,2,12H2,1H3,(H,18,22)(H,19,21)
InChIKeyCEYXOXQQNSJPCB-UHFFFAOYSA-N
XLogP0.82
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethoxyphenyl)sulfonyl-2-phenylacetohydrazide
CID 7974595
N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617244
N'-(4-ethoxyphenyl)sulfonyl-2-phenylsulfanylacetohydrazide
CID 7478638
1-N',6-N'-bis[(4-ethoxyphenyl)sulfonyl]hexanedihydrazide
CID 3116496
N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539279
4-ethoxy-N-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 9492767
4-ethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8617267
N'-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)acetohydrazide
CID 7974521
N-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559760
2-(1,3-dioxoisoindol-2-yl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
CID 9244319
N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55958800
2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
CID 7478651

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]-2-oxoethyl]benzamide (CID 9244251) is N-[2-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]-2-oxoethyl]benzamide is CCOc1ccc(S(=O)(=O)NNC(=O)CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is CEYXOXQQNSJPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-2-25-14-8-10-15(11-9-14)26(23,24)20-19-16(21)12-18-17(22)13-6-4-3-5-7-13/h3-11,20H,2,12H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-[2-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]-2-oxoethyl]benzamide?
N-[2-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 377.42 g/mol, XLogP of 0.82, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 9244251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).