(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(pyridin-2-ylmethyl)amino]butanamide

C21H23N3O4S — CID 57403445

IUPAC(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(pyridin-2-ylmethyl)amino]butanamide
SMILESCC(C)[C@H](C(=O)NO)N(Cc1ccccn1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H23N3O4S/c1-15(2)20(21(25)23-26)24(14-18-9-5-6-12-22-18)29(27,28)19-11-10-16-7-3-4-8-17(16)13-19/h3-13,15,20,26H,14H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyZHHIFOMQPDSUIP-HXUWFJFHSA-N
MW413.50 g/mol
LogP2.96
Rot. Bonds7

About (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(pyridin-2-ylmethyl)amino]butanamide

(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(pyridin-2-ylmethyl)amino]butanamide (PubChem CID 57403445) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(pyridin-2-ylmethyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(pyridin-2-ylmethyl)amino]butanamide
PubChem CID57403445
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(pyridin-2-ylmethyl)amino]butanamide
SMILESCC(C)[C@H](C(=O)NO)N(Cc1ccccn1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H23N3O4S/c1-15(2)20(21(25)23-26)24(14-18-9-5-6-12-22-18)29(27,28)19-11-10-16-7-3-4-8-17(16)13-19/h3-13,15,20,26H,14H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyZHHIFOMQPDSUIP-HXUWFJFHSA-N
XLogP2.96
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.96
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(pyridin-2-ylmethyl)amino]butanamide?
The IUPAC name of (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(pyridin-2-ylmethyl)amino]butanamide (CID 57403445) is (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(pyridin-2-ylmethyl)amino]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(pyridin-2-ylmethyl)amino]butanamide?
The canonical SMILES for (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(pyridin-2-ylmethyl)amino]butanamide is CC(C)[C@H](C(=O)NO)N(Cc1ccccn1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(pyridin-2-ylmethyl)amino]butanamide?
The InChIKey is ZHHIFOMQPDSUIP-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-15(2)20(21(25)23-26)24(14-18-9-5-6-12-22-18)29(27,28)19-11-10-16-7-3-4-8-17(16)13-19/h3-13,15,20,26H,14H2,1-2H3,(H,23,25)/t20-/m1/s1.
What are the key properties of (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(pyridin-2-ylmethyl)amino]butanamide?
(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(pyridin-2-ylmethyl)amino]butanamide has a molecular weight of 413.50 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(pyridin-2-ylmethyl)amino]butanamide is sourced from PubChem (CID 57403445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).