N-(5-hydroxy-2,2-dimethylpentyl)-2-(4-sulfanylphenyl)acetamide

C15H23NO2S — CID 106149651

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-2-(4-sulfanylphenyl)acetamide
SMILESCC(C)(CCCO)CNC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C15H23NO2S/c1-15(2,8-3-9-17)11-16-14(18)10-12-4-6-13(19)7-5-12/h4-7,17,19H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyOTXMBCWHTFEKLV-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.43
Rot. Bonds7

About N-(5-hydroxy-2,2-dimethylpentyl)-2-(4-sulfanylphenyl)acetamide

N-(5-hydroxy-2,2-dimethylpentyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 106149651) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID106149651
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-2-(4-sulfanylphenyl)acetamide
SMILESCC(C)(CCCO)CNC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C15H23NO2S/c1-15(2,8-3-9-17)11-16-14(18)10-12-4-6-13(19)7-5-12/h4-7,17,19H,3,8-11H2,1-2H3,(H,16,18)
InChIKeyOTXMBCWHTFEKLV-UHFFFAOYSA-N
XLogP2.43
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetamidophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 75441471
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-sulfanylphenyl)acetamide
CID 107020116
N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide
CID 103899658
N-(5-hydroxy-2,2-dimethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 103901151
N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide
CID 103899612
2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899330
2-amino-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148100
2-anilino-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148276
2-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 113348236
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide
CID 106148146
3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 106146044
N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybutanamide
CID 103899565

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2-(4-sulfanylphenyl)acetamide (CID 106149651) is N-(5-hydroxy-2,2-dimethylpentyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-2-(4-sulfanylphenyl)acetamide is CC(C)(CCCO)CNC(=O)Cc1ccc(S)cc1.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is OTXMBCWHTFEKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-15(2,8-3-9-17)11-16-14(18)10-12-4-6-13(19)7-5-12/h4-7,17,19H,3,8-11H2,1-2H3,(H,16,18).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-2-(4-sulfanylphenyl)acetamide?
N-(5-hydroxy-2,2-dimethylpentyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 281.42 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 106149651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).