(2R)-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide

C17H22N2O4S — CID 87298601

IUPAC(2R)-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCCc1ccc2cc(S(=O)(=O)N[C@@H](C(=O)NO)C(C)C)ccc2c1
InChIInChI=1S/C17H22N2O4S/c1-4-12-5-6-14-10-15(8-7-13(14)9-12)24(22,23)19-16(11(2)3)17(20)18-21/h5-11,16,19,21H,4H2,1-3H3,(H,18,20)/t16-/m1/s1
InChIKeyQPDHLOAGPRMPKL-MRXNPFEDSA-N
MW350.44 g/mol
LogP2.21
Rot. Bonds6

About (2R)-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide

(2R)-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide (PubChem CID 87298601) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is (2R)-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide
PubChem CID87298601
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name(2R)-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCCc1ccc2cc(S(=O)(=O)N[C@@H](C(=O)NO)C(C)C)ccc2c1
InChIInChI=1S/C17H22N2O4S/c1-4-12-5-6-14-10-15(8-7-13(14)9-12)24(22,23)19-16(11(2)3)17(20)18-21/h5-11,16,19,21H,4H2,1-3H3,(H,18,20)/t16-/m1/s1
InChIKeyQPDHLOAGPRMPKL-MRXNPFEDSA-N
XLogP2.21
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.21
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

3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide
CID 18160933
(2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 30690800
(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 51618284
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 24639028
(2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 41312555
2-[(3,5-dichlorophenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 134100923
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide
CID 18164733
N-[2-(diethylamino)ethyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 43020352
(2S)-N-[2-(diethylamino)ethyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 29369119
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 24642191
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
(2R)-N-hydroxy-3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanamide
CID 6539665

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2R)-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide (CID 87298601) is (2R)-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide is CCc1ccc2cc(S(=O)(=O)N[C@@H](C(=O)NO)C(C)C)ccc2c1.
What is the InChIKey of (2R)-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
The InChIKey is QPDHLOAGPRMPKL-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-4-12-5-6-14-10-15(8-7-13(14)9-12)24(22,23)19-16(11(2)3)17(20)18-21/h5-11,16,19,21H,4H2,1-3H3,(H,18,20)/t16-/m1/s1.
What are the key properties of (2R)-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide?
(2R)-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide has a molecular weight of 350.44 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-ethylnaphthalen-2-yl)sulfonylamino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 87298601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).