(4S)-N-hydroxy-4-methyl-3-(naphthalen-1-ylsulfonylamino)hexanamide

C17H22N2O4S — CID 10291533

IUPAC(4S)-N-hydroxy-4-methyl-3-(naphthalen-1-ylsulfonylamino)hexanamide
SMILESCC[C@H](C)C(CC(=O)NO)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C17H22N2O4S/c1-3-12(2)15(11-17(20)18-21)19-24(22,23)16-10-6-8-13-7-4-5-9-14(13)16/h4-10,12,15,19,21H,3,11H2,1-2H3,(H,18,20)/t12-,15?/m0/s1
InChIKeyCADIUJZLECCREJ-SFVWDYPZSA-N
MW350.44 g/mol
LogP2.43
Rot. Bonds7

About (4S)-N-hydroxy-4-methyl-3-(naphthalen-1-ylsulfonylamino)hexanamide

(4S)-N-hydroxy-4-methyl-3-(naphthalen-1-ylsulfonylamino)hexanamide (PubChem CID 10291533) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is (4S)-N-hydroxy-4-methyl-3-(naphthalen-1-ylsulfonylamino)hexanamide.

Molecular Properties

Compound Name(4S)-N-hydroxy-4-methyl-3-(naphthalen-1-ylsulfonylamino)hexanamide
PubChem CID10291533
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name(4S)-N-hydroxy-4-methyl-3-(naphthalen-1-ylsulfonylamino)hexanamide
SMILESCC[C@H](C)C(CC(=O)NO)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C17H22N2O4S/c1-3-12(2)15(11-17(20)18-21)19-24(22,23)16-10-6-8-13-7-4-5-9-14(13)16/h4-10,12,15,19,21H,3,11H2,1-2H3,(H,18,20)/t12-,15?/m0/s1
InChIKeyCADIUJZLECCREJ-SFVWDYPZSA-N
XLogP2.43
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-N-hydroxy-3-(isoquinolin-1-ylsulfonylamino)-4-methylhexanamide
CID 10269393
N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795805
2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid
CID 114795460
(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 103862696
N-benzyl-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide
CID 42706133
N-[(2S)-1-hydroxypropan-2-yl]naphthalene-1-sulfonamide
CID 103802489
3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-(2-phenylethyl)pentanamide
CID 42703729
methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate
CID 3820681
N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide
CID 170551201
N-(1-cyanoethyl)naphthalene-1-sulfonamide
CID 115766500
N-(5-methylhexan-2-yl)naphthalene-1-sulfonamide
CID 114795789
N-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide
CID 115684220

Frequently Asked Questions

What is the IUPAC name of (4S)-N-hydroxy-4-methyl-3-(naphthalen-1-ylsulfonylamino)hexanamide?
The IUPAC name of (4S)-N-hydroxy-4-methyl-3-(naphthalen-1-ylsulfonylamino)hexanamide (CID 10291533) is (4S)-N-hydroxy-4-methyl-3-(naphthalen-1-ylsulfonylamino)hexanamide.
What is the SMILES notation for (4S)-N-hydroxy-4-methyl-3-(naphthalen-1-ylsulfonylamino)hexanamide?
The canonical SMILES for (4S)-N-hydroxy-4-methyl-3-(naphthalen-1-ylsulfonylamino)hexanamide is CC[C@H](C)C(CC(=O)NO)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of (4S)-N-hydroxy-4-methyl-3-(naphthalen-1-ylsulfonylamino)hexanamide?
The InChIKey is CADIUJZLECCREJ-SFVWDYPZSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-3-12(2)15(11-17(20)18-21)19-24(22,23)16-10-6-8-13-7-4-5-9-14(13)16/h4-10,12,15,19,21H,3,11H2,1-2H3,(H,18,20)/t12-,15?/m0/s1.
What are the key properties of (4S)-N-hydroxy-4-methyl-3-(naphthalen-1-ylsulfonylamino)hexanamide?
(4S)-N-hydroxy-4-methyl-3-(naphthalen-1-ylsulfonylamino)hexanamide has a molecular weight of 350.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-hydroxy-4-methyl-3-(naphthalen-1-ylsulfonylamino)hexanamide is sourced from PubChem (CID 10291533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).