N-[3-[2-[2-[4-(4-cyanophenyl)phenoxy]acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide

C24H22N4O5S — CID 4852291

IUPACN-[3-[2-[2-[4-(4-cyanophenyl)phenoxy]acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)CCNS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H22N4O5S/c25-16-18-6-8-19(9-7-18)20-10-12-21(13-11-20)33-17-24(30)28-27-23(29)14-15-26-34(31,32)22-4-2-1-3-5-22/h1-13,26H,14-15,17H2,(H,27,29)(H,28,30)
InChIKeyPGAVIXUKECYIQL-UHFFFAOYSA-N
MW478.53 g/mol
LogP2.12
Rot. Bonds9

About N-[3-[2-[2-[4-(4-cyanophenyl)phenoxy]acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide

N-[3-[2-[2-[4-(4-cyanophenyl)phenoxy]acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide (PubChem CID 4852291) has the molecular formula C24H22N4O5S and a molecular weight of 478.53 g/mol. Its IUPAC name is N-[3-[2-[2-[4-(4-cyanophenyl)phenoxy]acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[2-[4-(4-cyanophenyl)phenoxy]acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
PubChem CID4852291
Molecular FormulaC24H22N4O5S
Molecular Weight478.53 g/mol
Exact Mass478.13
IUPAC NameN-[3-[2-[2-[4-(4-cyanophenyl)phenoxy]acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)CCNS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H22N4O5S/c25-16-18-6-8-19(9-7-18)20-10-12-21(13-11-20)33-17-24(30)28-27-23(29)14-15-26-34(31,32)22-4-2-1-3-5-22/h1-13,26H,14-15,17H2,(H,27,29)(H,28,30)
InChIKeyPGAVIXUKECYIQL-UHFFFAOYSA-N
XLogP2.12
TPSA137.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 24635797
N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 7601132
N-methyl-3-[[4-[2-(methylamino)-2-oxoethoxy]phenyl]sulfonylamino]propanamide
CID 100815509
N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
CID 2420734
N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670995
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
N'-[2-(4-cyanophenoxy)acetyl]-4-(1,3-dioxoisoindol-2-yl)butanehydrazide
CID 2372181
(4-cyanophenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3665647
2-[3-[2-[(4-cyanophenyl)sulfonylamino]ethyl]phenoxy]acetic acid
CID 67938134
N-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 122189465
N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide
CID 26982271
N'-(benzenesulfonyl)-2-(4-methoxyphenoxy)acetohydrazide
CID 917648

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-[4-(4-cyanophenyl)phenoxy]acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-[3-[2-[2-[4-(4-cyanophenyl)phenoxy]acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide (CID 4852291) is N-[3-[2-[2-[4-(4-cyanophenyl)phenoxy]acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[2-[2-[4-(4-cyanophenyl)phenoxy]acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-[3-[2-[2-[4-(4-cyanophenyl)phenoxy]acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide is N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)CCNS(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[3-[2-[2-[4-(4-cyanophenyl)phenoxy]acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is PGAVIXUKECYIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5S/c25-16-18-6-8-19(9-7-18)20-10-12-21(13-11-20)33-17-24(30)28-27-23(29)14-15-26-34(31,32)22-4-2-1-3-5-22/h1-13,26H,14-15,17H2,(H,27,29)(H,28,30).
What are the key properties of N-[3-[2-[2-[4-(4-cyanophenyl)phenoxy]acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
N-[3-[2-[2-[4-(4-cyanophenyl)phenoxy]acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 478.53 g/mol, XLogP of 2.12, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[4-(4-cyanophenyl)phenoxy]acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 4852291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).