N-hydroxy-2-methyl-2-methylsulfanyl-5-(4-thiophen-2-ylphenyl)pentanamide

C17H21NO2S2 — CID 144791758

IUPACN-hydroxy-2-methyl-2-methylsulfanyl-5-(4-thiophen-2-ylphenyl)pentanamide
SMILESCSC(C)(CCCc1ccc(-c2cccs2)cc1)C(=O)NO
InChIInChI=1S/C17H21NO2S2/c1-17(21-2,16(19)18-20)11-3-5-13-7-9-14(10-8-13)15-6-4-12-22-15/h4,6-10,12,20H,3,5,11H2,1-2H3,(H,18,19)
InChIKeyHMPKOPZXUVZYGJ-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.36
Rot. Bonds7

About N-hydroxy-2-methyl-2-methylsulfanyl-5-(4-thiophen-2-ylphenyl)pentanamide

N-hydroxy-2-methyl-2-methylsulfanyl-5-(4-thiophen-2-ylphenyl)pentanamide (PubChem CID 144791758) has the molecular formula C17H21NO2S2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfanyl-5-(4-thiophen-2-ylphenyl)pentanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfanyl-5-(4-thiophen-2-ylphenyl)pentanamide
PubChem CID144791758
Molecular FormulaC17H21NO2S2
Molecular Weight335.49 g/mol
Exact Mass335.10
IUPAC NameN-hydroxy-2-methyl-2-methylsulfanyl-5-(4-thiophen-2-ylphenyl)pentanamide
SMILESCSC(C)(CCCc1ccc(-c2cccs2)cc1)C(=O)NO
InChIInChI=1S/C17H21NO2S2/c1-17(21-2,16(19)18-20)11-3-5-13-7-9-14(10-8-13)15-6-4-12-22-15/h4,6-10,12,20H,3,5,11H2,1-2H3,(H,18,19)
InChIKeyHMPKOPZXUVZYGJ-UHFFFAOYSA-N
XLogP4.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.36
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 N-hydroxy-2-methyl-2-methylsulfanyl-5-(4-thiophen-2-ylphenyl)pentanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfanyl-5-(4-thiophen-2-ylphenyl)pentanamide (CID 144791758) is N-hydroxy-2-methyl-2-methylsulfanyl-5-(4-thiophen-2-ylphenyl)pentanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfanyl-5-(4-thiophen-2-ylphenyl)pentanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfanyl-5-(4-thiophen-2-ylphenyl)pentanamide is CSC(C)(CCCc1ccc(-c2cccs2)cc1)C(=O)NO.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfanyl-5-(4-thiophen-2-ylphenyl)pentanamide?
The InChIKey is HMPKOPZXUVZYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S2/c1-17(21-2,16(19)18-20)11-3-5-13-7-9-14(10-8-13)15-6-4-12-22-15/h4,6-10,12,20H,3,5,11H2,1-2H3,(H,18,19).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfanyl-5-(4-thiophen-2-ylphenyl)pentanamide?
N-hydroxy-2-methyl-2-methylsulfanyl-5-(4-thiophen-2-ylphenyl)pentanamide has a molecular weight of 335.49 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-methylsulfanyl-5-(4-thiophen-2-ylphenyl)pentanamide is sourced from PubChem (CID 144791758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).