2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide

C24H26N2O5S — CID 21310757

IUPAC2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide
SMILESCCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(C)cc(C)cc2C(=O)NO)cc1
InChIInChI=1S/C24H26N2O5S/c1-4-31-20-10-12-21(13-11-20)32(29,30)26(16-19-8-6-5-7-9-19)23-18(3)14-17(2)15-22(23)24(27)25-28/h5-15,28H,4,16H2,1-3H3,(H,25,27)
InChIKeyRGJXGQMBVWRXCQ-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.22
Rot. Bonds8

About 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide

2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide (PubChem CID 21310757) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide.

Molecular Properties

Compound Name2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide
PubChem CID21310757
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide
SMILESCCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(C)cc(C)cc2C(=O)NO)cc1
InChIInChI=1S/C24H26N2O5S/c1-4-31-20-10-12-21(13-11-20)32(29,30)26(16-19-8-6-5-7-9-19)23-18(3)14-17(2)15-22(23)24(27)25-28/h5-15,28H,4,16H2,1-3H3,(H,25,27)
InChIKeyRGJXGQMBVWRXCQ-UHFFFAOYSA-N
XLogP4.22
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.22
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-ethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide 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-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-2-{[4-(4-hydroxy-but-2-ynyloxy)-benzenesulfonyl]-methyl-amino}-3-methyl-benzamide
CID 9805304
5-Bromo-N-hydroxy-3-methyl-2-{methyl-[4-(3-phenyl-prop-2-ynyloxy)-benzenesulfonyl]-amino}-benzamide
CID 9806970
5-Bromo-N-hydroxy-3-methyl-2-[methyl-(4-pent-2-ynyloxy-benzenesulfonyl)-amino]-benzamide
CID 9826481
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-3-chloro-N-hydroxy-benzamide
CID 9846437
5-Bromo-2-[(4-hex-2-ynyloxy-benzenesulfonyl)-methyl-amino]-N-hydroxy-3-methyl-benzamide
CID 9848625
5-Bromo-N-hydroxy-3-methyl-2-[methyl-(4-prop-2-ynyloxy-benzenesulfonyl)-amino]-benzamide
CID 9868515
N-[4-[[3-(hydroxyamino)-3-oxopropyl]-[2-(4-methoxyphenyl)ethyl]sulfamoyl]phenyl]benzamide
CID 9870477

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide?
The IUPAC name of 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide (CID 21310757) is 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide.
What is the SMILES notation for 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide?
The canonical SMILES for 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide is CCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(C)cc(C)cc2C(=O)NO)cc1.
What is the InChIKey of 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide?
The InChIKey is RGJXGQMBVWRXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-4-31-20-10-12-21(13-11-20)32(29,30)26(16-19-8-6-5-7-9-19)23-18(3)14-17(2)15-22(23)24(27)25-28/h5-15,28H,4,16H2,1-3H3,(H,25,27).
What are the key properties of 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide?
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide has a molecular weight of 454.55 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide is sourced from PubChem (CID 21310757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).