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

C24H28N2O4S — CID 57401717

IUPAC(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(3-phenylpropyl)amino]butanamide
SMILESCC(C)[C@H](C(=O)NO)N(CCCc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H28N2O4S/c1-18(2)23(24(27)25-28)26(16-8-11-19-9-4-3-5-10-19)31(29,30)22-15-14-20-12-6-7-13-21(20)17-22/h3-7,9-10,12-15,17-18,23,28H,8,11,16H2,1-2H3,(H,25,27)/t23-/m1/s1
InChIKeyBRECBJOQRORDAF-HSZRJFAPSA-N
MW440.57 g/mol
LogP3.99
Rot. Bonds9

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

(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(3-phenylpropyl)amino]butanamide (PubChem CID 57401717) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(3-phenylpropyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(3-phenylpropyl)amino]butanamide
PubChem CID57401717
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC Name(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(3-phenylpropyl)amino]butanamide
SMILESCC(C)[C@H](C(=O)NO)N(CCCc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H28N2O4S/c1-18(2)23(24(27)25-28)26(16-8-11-19-9-4-3-5-10-19)31(29,30)22-15-14-20-12-6-7-13-21(20)17-22/h3-7,9-10,12-15,17-18,23,28H,8,11,16H2,1-2H3,(H,25,27)/t23-/m1/s1
InChIKeyBRECBJOQRORDAF-HSZRJFAPSA-N
XLogP3.99
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.99
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)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(3-phenylpropyl)amino]butanamide?
The IUPAC name of (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(3-phenylpropyl)amino]butanamide (CID 57401717) is (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(3-phenylpropyl)amino]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(3-phenylpropyl)amino]butanamide?
The canonical SMILES for (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(3-phenylpropyl)amino]butanamide is CC(C)[C@H](C(=O)NO)N(CCCc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(3-phenylpropyl)amino]butanamide?
The InChIKey is BRECBJOQRORDAF-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-18(2)23(24(27)25-28)26(16-8-11-19-9-4-3-5-10-19)31(29,30)22-15-14-20-12-6-7-13-21(20)17-22/h3-7,9-10,12-15,17-18,23,28H,8,11,16H2,1-2H3,(H,25,27)/t23-/m1/s1.
What are the key properties of (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(3-phenylpropyl)amino]butanamide?
(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(3-phenylpropyl)amino]butanamide has a molecular weight of 440.57 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(3-phenylpropyl)amino]butanamide is sourced from PubChem (CID 57401717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).