N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide

C15H23NO3S — CID 103945749

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCCC(C)(CCO)NC(=O)CSc1ccc(OC)cc1
InChIInChI=1S/C15H23NO3S/c1-4-15(2,9-10-17)16-14(18)11-20-13-7-5-12(19-3)6-8-13/h5-8,17H,4,9-11H2,1-3H3,(H,16,18)
InChIKeyYBXLYCPKNHWVPN-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.45
Rot. Bonds8

About N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide

N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 103945749) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID103945749
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCCC(C)(CCO)NC(=O)CSc1ccc(OC)cc1
InChIInChI=1S/C15H23NO3S/c1-4-15(2,9-10-17)16-14(18)11-20-13-7-5-12(19-3)6-8-13/h5-8,17H,4,9-11H2,1-3H3,(H,16,18)
InChIKeyYBXLYCPKNHWVPN-UHFFFAOYSA-N
XLogP2.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945789
N-(1-hydroxy-3-methylpentan-3-yl)-3-(4-methoxyphenyl)butanamide
CID 110002569
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 119608826
2-(4-methoxyphenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724032
2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945438
N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 107318867
2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]propanoic acid
CID 43241779
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 28956181
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 79246128
methyl (2S)-3-hydroxy-2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]propanoate
CID 9277983
N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 113344707
4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide (CID 103945749) is N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide is CCC(C)(CCO)NC(=O)CSc1ccc(OC)cc1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is YBXLYCPKNHWVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-15(2,9-10-17)16-14(18)11-20-13-7-5-12(19-3)6-8-13/h5-8,17H,4,9-11H2,1-3H3,(H,16,18).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide?
N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 297.42 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 103945749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).