N-hydroxy-2-methyl-2-methylsulfanyl-6-[4-(2-phenylethynyl)phenyl]hexanamide

C22H25NO2S — CID 144791696

IUPACN-hydroxy-2-methyl-2-methylsulfanyl-6-[4-(2-phenylethynyl)phenyl]hexanamide
SMILESCSC(C)(CCCCc1ccc(C#Cc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C22H25NO2S/c1-22(26-2,21(24)23-25)17-7-6-10-19-12-15-20(16-13-19)14-11-18-8-4-3-5-9-18/h3-5,8-9,12-13,15-16,25H,6-7,10,17H2,1-2H3,(H,23,24)
InChIKeyOUWWBKVZTPWAFH-UHFFFAOYSA-N
MW367.51 g/mol
LogP4.43
Rot. Bonds7

About N-hydroxy-2-methyl-2-methylsulfanyl-6-[4-(2-phenylethynyl)phenyl]hexanamide

N-hydroxy-2-methyl-2-methylsulfanyl-6-[4-(2-phenylethynyl)phenyl]hexanamide (PubChem CID 144791696) has the molecular formula C22H25NO2S and a molecular weight of 367.51 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfanyl-6-[4-(2-phenylethynyl)phenyl]hexanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfanyl-6-[4-(2-phenylethynyl)phenyl]hexanamide
PubChem CID144791696
Molecular FormulaC22H25NO2S
Molecular Weight367.51 g/mol
Exact Mass367.16
IUPAC NameN-hydroxy-2-methyl-2-methylsulfanyl-6-[4-(2-phenylethynyl)phenyl]hexanamide
SMILESCSC(C)(CCCCc1ccc(C#Cc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C22H25NO2S/c1-22(26-2,21(24)23-25)17-7-6-10-19-12-15-20(16-13-19)14-11-18-8-4-3-5-9-18/h3-5,8-9,12-13,15-16,25H,6-7,10,17H2,1-2H3,(H,23,24)
InChIKeyOUWWBKVZTPWAFH-UHFFFAOYSA-N
XLogP4.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-methyl-2-methylsulfanyl-7-[4-(2-phenylethynyl)phenyl]heptanamide
CID 144791706
N-hydroxy-2-methyl-2-methylsulfanyl-5-(4-thiophen-2-ylphenyl)pentanamide
CID 144791758
3-methyl-3-methylsulfonyl-6-[4-(2-phenylethynyl)phenyl]hexan-2-one
CID 122450310
1-pentyl-4-(2-phenylethynyl)benzene
CID 59931513
N,2-dihydroxy-2-methyl-4-phenylbutanamide
CID 18686340
2-methyl-2-(4-phenylbutyl)propanedioic acid
CID 22618855
N,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane
CID 144791814
2-methyl-6-phenylhexan-2-ol
CID 12716611
4-fluoro-3-(fluoromethyl)-N-hydroxy-2-methyl-2-[3-(4-phenylphenyl)propylamino]butanamide
CID 123709297
N-[(2R)-4-hydroxy-2-methyl-1-(methylamino)-1,3-dioxobutan-2-yl]-N-methyl-4-[2-[4-(6,6,6-trifluorohexyl)phenyl]ethynyl]benzamide
CID 159308294
3,3-dimethyl-15-phenylpentadecanoic acid
CID 2737130
2-tert-butyl-2-(5-phenylpentyl)propanedioic acid
CID 139782915

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-2-methylsulfanyl-6-[4-(2-phenylethynyl)phenyl]hexanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfanyl-6-[4-(2-phenylethynyl)phenyl]hexanamide (CID 144791696) is N-hydroxy-2-methyl-2-methylsulfanyl-6-[4-(2-phenylethynyl)phenyl]hexanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfanyl-6-[4-(2-phenylethynyl)phenyl]hexanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfanyl-6-[4-(2-phenylethynyl)phenyl]hexanamide is CSC(C)(CCCCc1ccc(C#Cc2ccccc2)cc1)C(=O)NO.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfanyl-6-[4-(2-phenylethynyl)phenyl]hexanamide?
The InChIKey is OUWWBKVZTPWAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2S/c1-22(26-2,21(24)23-25)17-7-6-10-19-12-15-20(16-13-19)14-11-18-8-4-3-5-9-18/h3-5,8-9,12-13,15-16,25H,6-7,10,17H2,1-2H3,(H,23,24).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfanyl-6-[4-(2-phenylethynyl)phenyl]hexanamide?
N-hydroxy-2-methyl-2-methylsulfanyl-6-[4-(2-phenylethynyl)phenyl]hexanamide has a molecular weight of 367.51 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-methylsulfanyl-6-[4-(2-phenylethynyl)phenyl]hexanamide is sourced from PubChem (CID 144791696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).