(2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide

C23H25ClN2O5S — CID 58256217

IUPAC(2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NO)N(CCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H25ClN2O5S/c1-16(2)22(23(27)25-28)26(13-14-31-20-10-8-19(24)9-11-20)32(29,30)21-12-7-17-5-3-4-6-18(17)15-21/h3-12,15-16,22,28H,13-14H2,1-2H3,(H,25,27)/t22-/m1/s1
InChIKeyMRZPACFXMSIJGV-JOCHJYFZSA-N
MW476.98 g/mol
LogP4.09
Rot. Bonds9

About (2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide

(2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide (PubChem CID 58256217) has the molecular formula C23H25ClN2O5S and a molecular weight of 476.98 g/mol. Its IUPAC name is (2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide
PubChem CID58256217
Molecular FormulaC23H25ClN2O5S
Molecular Weight476.98 g/mol
Exact Mass476.12
IUPAC Name(2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NO)N(CCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H25ClN2O5S/c1-16(2)22(23(27)25-28)26(13-14-31-20-10-8-19(24)9-11-20)32(29,30)21-12-7-17-5-3-4-6-18(17)15-21/h3-12,15-16,22,28H,13-14H2,1-2H3,(H,25,27)/t22-/m1/s1
InChIKeyMRZPACFXMSIJGV-JOCHJYFZSA-N
XLogP4.09
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.98
LogP ≤ 54.09
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 (2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-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

(2R)-2-[2-(2-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide
CID 58256174
(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]butanamide
CID 58256163
(2R)-2-[2-aminoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 144510795
(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-methylnaphthalen-2-yl)sulfonylamino]butanamide
CID 87289862
2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 74080477
(2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide
CID 72945426
N-hydroxy-3-methyl-2-[3-methylbutyl-(7-methylnaphthalen-2-yl)sulfonylamino]butanamide
CID 76747684
(2R)-N-hydroxy-2-[(7-hydroxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanamide
CID 57394732
3-[[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoic acid
CID 22612442
(2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfanylamino]-N-hydroxy-3,3-dimethylbutanamide
CID 143925983
(2R)-2-[(7-ethoxynaphthalen-2-yl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide
CID 58256181
2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenoxyphenyl)sulfonylamino]acetic acid
CID 25180867

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide (CID 58256217) is (2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide is CC(C)[C@H](C(=O)NO)N(CCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide?
The InChIKey is MRZPACFXMSIJGV-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25ClN2O5S/c1-16(2)22(23(27)25-28)26(13-14-31-20-10-8-19(24)9-11-20)32(29,30)21-12-7-17-5-3-4-6-18(17)15-21/h3-12,15-16,22,28H,13-14H2,1-2H3,(H,25,27)/t22-/m1/s1.
What are the key properties of (2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide?
(2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide has a molecular weight of 476.98 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 58256217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).