2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-5-methylbenzamide

C22H22N2O5S — CID 21310781

IUPAC2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-5-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(C)cc2C(=O)NO)cc1
InChIInChI=1S/C22H22N2O5S/c1-16-8-13-21(20(14-16)22(25)23-26)24(15-17-6-4-3-5-7-17)30(27,28)19-11-9-18(29-2)10-12-19/h3-14,26H,15H2,1-2H3,(H,23,25)
InChIKeyLKRHPZIUVGMVCY-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.52
Rot. Bonds7

About 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-5-methylbenzamide

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-5-methylbenzamide (PubChem CID 21310781) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-5-methylbenzamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-5-methylbenzamide
PubChem CID21310781
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-5-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(C)cc2C(=O)NO)cc1
InChIInChI=1S/C22H22N2O5S/c1-16-8-13-21(20(14-16)22(25)23-26)24(15-17-6-4-3-5-7-17)30(27,28)19-11-9-18(29-2)10-12-19/h3-14,26H,15H2,1-2H3,(H,23,25)
InChIKeyLKRHPZIUVGMVCY-UHFFFAOYSA-N
XLogP3.52
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-5-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzoyl-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 9869819
N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-(4-phenylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 9959421
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-3-(4-methyl-piperazin-1-ylmethyl)-benzamide
CID 17866675
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-3-hydroxycarbamoylmethoxy-benzamide
CID 44316333
2-{[4-(4-Chloro-phenoxy)-benzenesulfonyl]-methyl-amino}-N-hydroxy-3-(4-methyl-piperazin-1-ylmethyl)-benzamide
CID 10076090
2-[3-(Diethylsulfamoyl)benzamido]-N-(4-methoxyphenyl)benzamide
CID 4651552
5-Bromo-N-hydroxy-3-methyl-2-{methyl-[4-(3-phenyl-prop-2-ynyloxy)-benzenesulfonyl]-amino}-benzamide
CID 9806970
1-(5-fluoro-2-methylbenzoyl)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 9827807
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-3-chloro-N-hydroxy-benzamide
CID 9846437
N-[4-[[3-(hydroxyamino)-3-oxopropyl]-[2-(4-methoxyphenyl)ethyl]sulfamoyl]phenyl]benzamide
CID 9870477
N-hydroxy-4-(4-methoxyphenyl)sulfonyl-1-(3-phenylpropanoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 9892518
5-Bromo-2-{[4-(4-diethylamino-but-2-ynyloxy)-benzenesulfonyl]-methyl-amino}-N-hydroxy-3-methyl-benzamide
CID 9915194

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-5-methylbenzamide?
The IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-5-methylbenzamide (CID 21310781) is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-5-methylbenzamide.
What is the SMILES notation for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-5-methylbenzamide?
The canonical SMILES for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-5-methylbenzamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(C)cc2C(=O)NO)cc1.
What is the InChIKey of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-5-methylbenzamide?
The InChIKey is LKRHPZIUVGMVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-16-8-13-21(20(14-16)22(25)23-26)24(15-17-6-4-3-5-7-17)30(27,28)19-11-9-18(29-2)10-12-19/h3-14,26H,15H2,1-2H3,(H,23,25).
What are the key properties of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-5-methylbenzamide?
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-5-methylbenzamide has a molecular weight of 426.49 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-5-methylbenzamide is sourced from PubChem (CID 21310781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).