(2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfanylamino]-N-hydroxy-3,3-dimethylbutanamide

C24H27ClN2O3S — CID 143925983

IUPAC(2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfanylamino]-N-hydroxy-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](C(=O)NO)N(CCOc1ccc(Cl)cc1)Sc1ccc2ccccc2c1
InChIInChI=1S/C24H27ClN2O3S/c1-24(2,3)22(23(28)26-29)27(14-15-30-20-11-9-19(25)10-12-20)31-21-13-8-17-6-4-5-7-18(17)16-21/h4-13,16,22,29H,14-15H2,1-3H3,(H,26,28)/t22-/m0/s1
InChIKeyDLBUMQOBQGINEC-QFIPXVFZSA-N
MW459.01 g/mol
LogP5.80
Rot. Bonds8

About (2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfanylamino]-N-hydroxy-3,3-dimethylbutanamide

(2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfanylamino]-N-hydroxy-3,3-dimethylbutanamide (PubChem CID 143925983) has the molecular formula C24H27ClN2O3S and a molecular weight of 459.01 g/mol. Its IUPAC name is (2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfanylamino]-N-hydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfanylamino]-N-hydroxy-3,3-dimethylbutanamide
PubChem CID143925983
Molecular FormulaC24H27ClN2O3S
Molecular Weight459.01 g/mol
Exact Mass458.14
IUPAC Name(2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfanylamino]-N-hydroxy-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](C(=O)NO)N(CCOc1ccc(Cl)cc1)Sc1ccc2ccccc2c1
InChIInChI=1S/C24H27ClN2O3S/c1-24(2,3)22(23(28)26-29)27(14-15-30-20-11-9-19(25)10-12-20)31-21-13-8-17-6-4-5-7-18(17)16-21/h4-13,16,22,29H,14-15H2,1-3H3,(H,26,28)/t22-/m0/s1
InChIKeyDLBUMQOBQGINEC-QFIPXVFZSA-N
XLogP5.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.01
LogP ≤ 55.80
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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide
CID 58256217
(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-propoxynaphthalen-2-yl)sulfanylamino]butanamide
CID 143925967
(2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide
CID 103929089
2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 7881097
2-[[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]methyl]-3-methylbutanoic acid
CID 21259088
2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 115649486
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide
CID 27758314
(2R)-2-[2-(2-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide
CID 58256174
1-(4-chlorophenyl)-3-naphthalen-2-yloxypropan-1-ol
CID 54113844
methyl 4-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfanyl)amino]pentanoate
CID 91140768
4-[2-(4-chlorophenyl)sulfanylethoxy]benzoic acid
CID 20992125
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-chlorophenyl)sulfanylbutanamide
CID 133235789

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfanylamino]-N-hydroxy-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfanylamino]-N-hydroxy-3,3-dimethylbutanamide (CID 143925983) is (2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfanylamino]-N-hydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfanylamino]-N-hydroxy-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfanylamino]-N-hydroxy-3,3-dimethylbutanamide is CC(C)(C)[C@H](C(=O)NO)N(CCOc1ccc(Cl)cc1)Sc1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfanylamino]-N-hydroxy-3,3-dimethylbutanamide?
The InChIKey is DLBUMQOBQGINEC-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H27ClN2O3S/c1-24(2,3)22(23(28)26-29)27(14-15-30-20-11-9-19(25)10-12-20)31-21-13-8-17-6-4-5-7-18(17)16-21/h4-13,16,22,29H,14-15H2,1-3H3,(H,26,28)/t22-/m0/s1.
What are the key properties of (2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfanylamino]-N-hydroxy-3,3-dimethylbutanamide?
(2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfanylamino]-N-hydroxy-3,3-dimethylbutanamide has a molecular weight of 459.01 g/mol, XLogP of 5.80, 8 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-ylsulfanylamino]-N-hydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 143925983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).