N-[3-(4-methoxyphenyl)-1-oxo-1-(2-phenylhydrazinyl)propan-2-yl]benzenesulfonamide

C22H23N3O4S — CID 15453074

IUPACN-[3-(4-methoxyphenyl)-1-oxo-1-(2-phenylhydrazinyl)propan-2-yl]benzenesulfonamide
SMILESCOc1ccc(CC(NS(=O)(=O)c2ccccc2)C(=O)NNc2ccccc2)cc1
InChIInChI=1S/C22H23N3O4S/c1-29-19-14-12-17(13-15-19)16-21(22(26)24-23-18-8-4-2-5-9-18)25-30(27,28)20-10-6-3-7-11-20/h2-15,21,23,25H,16H2,1H3,(H,24,26)
InChIKeyFEUDWJBAYFXGPX-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.73
Rot. Bonds9

About N-[3-(4-methoxyphenyl)-1-oxo-1-(2-phenylhydrazinyl)propan-2-yl]benzenesulfonamide

N-[3-(4-methoxyphenyl)-1-oxo-1-(2-phenylhydrazinyl)propan-2-yl]benzenesulfonamide (PubChem CID 15453074) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)-1-oxo-1-(2-phenylhydrazinyl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)-1-oxo-1-(2-phenylhydrazinyl)propan-2-yl]benzenesulfonamide
PubChem CID15453074
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC NameN-[3-(4-methoxyphenyl)-1-oxo-1-(2-phenylhydrazinyl)propan-2-yl]benzenesulfonamide
SMILESCOc1ccc(CC(NS(=O)(=O)c2ccccc2)C(=O)NNc2ccccc2)cc1
InChIInChI=1S/C22H23N3O4S/c1-29-19-14-12-17(13-15-19)16-21(22(26)24-23-18-8-4-2-5-9-18)25-30(27,28)20-10-6-3-7-11-20/h2-15,21,23,25H,16H2,1H3,(H,24,26)
InChIKeyFEUDWJBAYFXGPX-UHFFFAOYSA-N
XLogP2.73
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.73
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-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890705
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
(2S)-3-(4-methoxyphenyl)-N-methyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 101267303
N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890775
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 92645904
N-(2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890719
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 92645902
methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 5010476
[4-[(2S)-2-(benzenesulfonamido)-3-(methylamino)-3-oxopropyl]phenyl]sulfamic acid
CID 10364401

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)-1-oxo-1-(2-phenylhydrazinyl)propan-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(4-methoxyphenyl)-1-oxo-1-(2-phenylhydrazinyl)propan-2-yl]benzenesulfonamide (CID 15453074) is N-[3-(4-methoxyphenyl)-1-oxo-1-(2-phenylhydrazinyl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)-1-oxo-1-(2-phenylhydrazinyl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)-1-oxo-1-(2-phenylhydrazinyl)propan-2-yl]benzenesulfonamide is COc1ccc(CC(NS(=O)(=O)c2ccccc2)C(=O)NNc2ccccc2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)-1-oxo-1-(2-phenylhydrazinyl)propan-2-yl]benzenesulfonamide?
The InChIKey is FEUDWJBAYFXGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-29-19-14-12-17(13-15-19)16-21(22(26)24-23-18-8-4-2-5-9-18)25-30(27,28)20-10-6-3-7-11-20/h2-15,21,23,25H,16H2,1H3,(H,24,26).
What are the key properties of N-[3-(4-methoxyphenyl)-1-oxo-1-(2-phenylhydrazinyl)propan-2-yl]benzenesulfonamide?
N-[3-(4-methoxyphenyl)-1-oxo-1-(2-phenylhydrazinyl)propan-2-yl]benzenesulfonamide has a molecular weight of 425.51 g/mol, XLogP of 2.73, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)-1-oxo-1-(2-phenylhydrazinyl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 15453074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).