2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide

C20H25FN2O5S — CID 74080477

IUPAC2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)C(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCF)cc1
InChIInChI=1S/C20H25FN2O5S/c1-15(2)19(20(24)22-25)23(14-16-6-4-3-5-7-16)29(26,27)18-10-8-17(9-11-18)28-13-12-21/h3-11,15,19,25H,12-14H2,1-2H3,(H,22,24)
InChIKeyNSDMBIOAMTZMED-UHFFFAOYSA-N
MW424.49 g/mol
LogP2.76
Rot. Bonds10

About 2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide

2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide (PubChem CID 74080477) has the molecular formula C20H25FN2O5S and a molecular weight of 424.49 g/mol. Its IUPAC name is 2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide
PubChem CID74080477
Molecular FormulaC20H25FN2O5S
Molecular Weight424.49 g/mol
Exact Mass424.15
IUPAC Name2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)C(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCF)cc1
InChIInChI=1S/C20H25FN2O5S/c1-15(2)19(20(24)22-25)23(14-16-6-4-3-5-7-16)29(26,27)18-10-8-17(9-11-18)28-13-12-21/h3-11,15,19,25H,12-14H2,1-2H3,(H,22,24)
InChIKeyNSDMBIOAMTZMED-UHFFFAOYSA-N
XLogP2.76
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 52.76
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-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide 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

(2S)-N-hydroxy-3-methyl-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]butanamide
CID 100984443
(2R)-2-[(4-ethoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide;hydrochloride
CID 22856296
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 10594938
2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenoxyphenyl)sulfonylamino]acetic acid
CID 25180867
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide;hydrochloride
CID 22907040
3-[[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoic acid
CID 22612442
(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide
CID 102341132
(2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide
CID 58256217
tert-butyl 2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-4-fluoropent-4-enoate
CID 89120334
(2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
CID 91799153
(2S)-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 10598780
(2R)-2-[2-aminoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 144510795

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of 2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide (CID 74080477) is 2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for 2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for 2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide is CC(C)C(C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCF)cc1.
What is the InChIKey of 2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide?
The InChIKey is NSDMBIOAMTZMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O5S/c1-15(2)19(20(24)22-25)23(14-16-6-4-3-5-7-16)29(26,27)18-10-8-17(9-11-18)28-13-12-21/h3-11,15,19,25H,12-14H2,1-2H3,(H,22,24).
What are the key properties of 2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide?
2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide has a molecular weight of 424.49 g/mol, XLogP of 2.76, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 74080477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).