(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(quinolin-3-ylsulfonyl)amino]butanamide

C19H27N3O4S — CID 57392902

IUPAC(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(quinolin-3-ylsulfonyl)amino]butanamide
SMILESCC(C)CCN([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1cnc2ccccc2c1
InChIInChI=1S/C19H27N3O4S/c1-13(2)9-10-22(18(14(3)4)19(23)21-24)27(25,26)16-11-15-7-5-6-8-17(15)20-12-16/h5-8,11-14,18,24H,9-10H2,1-4H3,(H,21,23)/t18-/m1/s1
InChIKeyMFBQXIJAOSFCJR-GOSISDBHSA-N
MW393.51 g/mol
LogP2.80
Rot. Bonds8

About (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(quinolin-3-ylsulfonyl)amino]butanamide

(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(quinolin-3-ylsulfonyl)amino]butanamide (PubChem CID 57392902) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(quinolin-3-ylsulfonyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(quinolin-3-ylsulfonyl)amino]butanamide
PubChem CID57392902
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(quinolin-3-ylsulfonyl)amino]butanamide
SMILESCC(C)CCN([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1cnc2ccccc2c1
InChIInChI=1S/C19H27N3O4S/c1-13(2)9-10-22(18(14(3)4)19(23)21-24)27(25,26)16-11-15-7-5-6-8-17(15)20-12-16/h5-8,11-14,18,24H,9-10H2,1-4H3,(H,21,23)/t18-/m1/s1
InChIKeyMFBQXIJAOSFCJR-GOSISDBHSA-N
XLogP2.80
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.80
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-[3-methylbutyl(quinolin-3-ylsulfonyl)amino]butanamide?
The IUPAC name of (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(quinolin-3-ylsulfonyl)amino]butanamide (CID 57392902) is (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(quinolin-3-ylsulfonyl)amino]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(quinolin-3-ylsulfonyl)amino]butanamide?
The canonical SMILES for (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(quinolin-3-ylsulfonyl)amino]butanamide is CC(C)CCN([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1cnc2ccccc2c1.
What is the InChIKey of (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(quinolin-3-ylsulfonyl)amino]butanamide?
The InChIKey is MFBQXIJAOSFCJR-GOSISDBHSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-13(2)9-10-22(18(14(3)4)19(23)21-24)27(25,26)16-11-15-7-5-6-8-17(15)20-12-16/h5-8,11-14,18,24H,9-10H2,1-4H3,(H,21,23)/t18-/m1/s1.
What are the key properties of (2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(quinolin-3-ylsulfonyl)amino]butanamide?
(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl(quinolin-3-ylsulfonyl)amino]butanamide has a molecular weight of 393.51 g/mol, XLogP of 2.80, 8 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-[3-methylbutyl(quinolin-3-ylsulfonyl)amino]butanamide is sourced from PubChem (CID 57392902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).