(2R)-2-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxy-3-methylbutanamide

C22H24N2O4S — CID 44608942

IUPAC(2R)-2-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H24N2O4S/c1-16(2)21(22(25)23-26)24(15-17-8-4-3-5-9-17)29(27,28)20-13-12-18-10-6-7-11-19(18)14-20/h3-14,16,21,26H,15H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyBHCRZOUPEFVWHZ-OAQYLSRUSA-N
MW412.51 g/mol
LogP3.56
Rot. Bonds7

About (2R)-2-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxy-3-methylbutanamide

(2R)-2-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxy-3-methylbutanamide (PubChem CID 44608942) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is (2R)-2-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxy-3-methylbutanamide
PubChem CID44608942
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name(2R)-2-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H24N2O4S/c1-16(2)21(22(25)23-26)24(15-17-8-4-3-5-9-17)29(27,28)20-13-12-18-10-6-7-11-19(18)14-20/h3-14,16,21,26H,15H2,1-2H3,(H,23,25)/t21-/m1/s1
InChIKeyBHCRZOUPEFVWHZ-OAQYLSRUSA-N
XLogP3.56
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2R)-2-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxy-3-methylbutanamide (CID 44608942) is (2R)-2-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-2-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxy-3-methylbutanamide is CC(C)[C@H](C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxy-3-methylbutanamide?
The InChIKey is BHCRZOUPEFVWHZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-16(2)21(22(25)23-26)24(15-17-8-4-3-5-9-17)29(27,28)20-13-12-18-10-6-7-11-19(18)14-20/h3-14,16,21,26H,15H2,1-2H3,(H,23,25)/t21-/m1/s1.
What are the key properties of (2R)-2-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxy-3-methylbutanamide?
(2R)-2-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxy-3-methylbutanamide has a molecular weight of 412.51 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 44608942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).