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

C25H30N2O4S — CID 44608939

IUPAC(2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-4-phenylbutanamide
SMILESCC(C)CCN([C@H](CCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C25H30N2O4S/c1-19(2)16-17-27(24(25(28)26-29)15-12-20-8-4-3-5-9-20)32(30,31)23-14-13-21-10-6-7-11-22(21)18-23/h3-11,13-14,18-19,24,29H,12,15-17H2,1-2H3,(H,26,28)/t24-/m1/s1
InChIKeyQGGLZVYZDFRHHX-XMMPIXPASA-N
MW454.59 g/mol
LogP4.38
Rot. Bonds10

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

(2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-4-phenylbutanamide (PubChem CID 44608939) has the molecular formula C25H30N2O4S and a molecular weight of 454.59 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-4-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-4-phenylbutanamide
PubChem CID44608939
Molecular FormulaC25H30N2O4S
Molecular Weight454.59 g/mol
Exact Mass454.19
IUPAC Name(2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-4-phenylbutanamide
SMILESCC(C)CCN([C@H](CCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C25H30N2O4S/c1-19(2)16-17-27(24(25(28)26-29)15-12-20-8-4-3-5-9-20)32(30,31)23-14-13-21-10-6-7-11-22(21)18-23/h3-11,13-14,18-19,24,29H,12,15-17H2,1-2H3,(H,26,28)/t24-/m1/s1
InChIKeyQGGLZVYZDFRHHX-XMMPIXPASA-N
XLogP4.38
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 54.38
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

(2R)-2-[(7-aminonaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxypropanamide
CID 143926014
(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-methylnaphthalen-2-yl)sulfonylamino]butanamide
CID 87289862
N-hydroxy-3-methyl-2-[3-methylbutyl-(7-methylnaphthalen-2-yl)sulfonylamino]butanamide
CID 76747684
(2R)-N-hydroxy-2-[(7-hydroxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanamide
CID 57394732
N-hydroxy-1-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]cyclopropane-1-carboxamide
CID 58256209
(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]butanamide
CID 58256163
(2S)-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100514610
2-[methyl(naphthalen-2-ylsulfonyl)amino]-3-phenylpropanoic acid
CID 19703222
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-6-(dimethylamino)-N-hydroxyhexanamide
CID 10742152
(2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide
CID 58256217
tert-butyl 3-methyl-2-[3-methylbutyl-(6-phenylmethoxynaphthalen-2-yl)sulfonylamino]butanoate
CID 67155211
(2R)-2-[2-(2-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide
CID 58256174

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-4-phenylbutanamide?
The IUPAC name of (2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-4-phenylbutanamide (CID 44608939) is (2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-4-phenylbutanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-4-phenylbutanamide?
The canonical SMILES for (2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-4-phenylbutanamide is CC(C)CCN([C@H](CCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-4-phenylbutanamide?
The InChIKey is QGGLZVYZDFRHHX-XMMPIXPASA-N. The full InChI is InChI=1S/C25H30N2O4S/c1-19(2)16-17-27(24(25(28)26-29)15-12-20-8-4-3-5-9-20)32(30,31)23-14-13-21-10-6-7-11-22(21)18-23/h3-11,13-14,18-19,24,29H,12,15-17H2,1-2H3,(H,26,28)/t24-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-4-phenylbutanamide?
(2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-4-phenylbutanamide has a molecular weight of 454.59 g/mol, XLogP of 4.38, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-4-phenylbutanamide is sourced from PubChem (CID 44608939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).