(2R)-N-hydroxy-4-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]pentanamide

C21H30N2O4S — CID 44596287

IUPAC(2R)-N-hydroxy-4-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]pentanamide
SMILESCC(C)CCN([C@H](CC(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H30N2O4S/c1-15(2)11-12-23(20(13-16(3)4)21(24)22-25)28(26,27)19-10-9-17-7-5-6-8-18(17)14-19/h5-10,14-16,20,25H,11-13H2,1-4H3,(H,22,24)/t20-/m1/s1
InChIKeyOXLIYFANWBIKMH-HXUWFJFHSA-N
MW406.55 g/mol
LogP3.80
Rot. Bonds9

About (2R)-N-hydroxy-4-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]pentanamide

(2R)-N-hydroxy-4-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]pentanamide (PubChem CID 44596287) has the molecular formula C21H30N2O4S and a molecular weight of 406.55 g/mol. Its IUPAC name is (2R)-N-hydroxy-4-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]pentanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-4-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]pentanamide
PubChem CID44596287
Molecular FormulaC21H30N2O4S
Molecular Weight406.55 g/mol
Exact Mass406.19
IUPAC Name(2R)-N-hydroxy-4-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]pentanamide
SMILESCC(C)CCN([C@H](CC(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H30N2O4S/c1-15(2)11-12-23(20(13-16(3)4)21(24)22-25)28(26,27)19-10-9-17-7-5-6-8-18(17)14-19/h5-10,14-16,20,25H,11-13H2,1-4H3,(H,22,24)/t20-/m1/s1
InChIKeyOXLIYFANWBIKMH-HXUWFJFHSA-N
XLogP3.80
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 53.80
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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Related Compounds

N-Hydroxy-N^2^-(3-Methylbutyl)-N^2^-(Naphthalen-2-Ylsulfonyl)-D-Valinamide
CID 53389286
(2R)-2-[(6-ethylnaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide
CID 57398195
(2R)-2-[(4-fluoronaphthalene-1-)sulfonamido]-N-hydroxy-3-methylbutanamide
CID 6539673
(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-(naphthalen-2-ylsulfonylamino)butanediamide
CID 10744535
(S)-2-[(Biphenyl-4-sulfonyl)-isobutyl-amino]-N-hydroxy-4-methylsulfanyl-butyramide
CID 44291532
(2S)-3-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]-2-(naphthalen-1-ylsulfonylamino)pentanamide
CID 44356612
(2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(naphthalen-1-ylsulfonylamino)pentanamide
CID 44356626
(2R)-N-hydroxy-1-[4-(2-phenylethynyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 162677454
N-ethyl-1-(2-naphthylsulfonyl)prolinamide
CID 6460526
(3R)-N-hydroxy-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 10833766
N-(2-naphthalenesulfonyl)-L-valyl-L-leucinal
CID 10883981
(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 10993852

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-4-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]pentanamide?
The IUPAC name of (2R)-N-hydroxy-4-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]pentanamide (CID 44596287) is (2R)-N-hydroxy-4-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]pentanamide.
What is the SMILES notation for (2R)-N-hydroxy-4-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]pentanamide?
The canonical SMILES for (2R)-N-hydroxy-4-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]pentanamide is CC(C)CCN([C@H](CC(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-N-hydroxy-4-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]pentanamide?
The InChIKey is OXLIYFANWBIKMH-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H30N2O4S/c1-15(2)11-12-23(20(13-16(3)4)21(24)22-25)28(26,27)19-10-9-17-7-5-6-8-18(17)14-19/h5-10,14-16,20,25H,11-13H2,1-4H3,(H,22,24)/t20-/m1/s1.
What are the key properties of (2R)-N-hydroxy-4-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]pentanamide?
(2R)-N-hydroxy-4-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]pentanamide has a molecular weight of 406.55 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-4-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]pentanamide is sourced from PubChem (CID 44596287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).