3-(4-butylphenyl)sulfanyl-4-hydroxy-4-methylpentanamide

C16H25NO2S — CID 11843228

IUPAC3-(4-butylphenyl)sulfanyl-4-hydroxy-4-methylpentanamide
SMILESCCCCc1ccc(SC(CC(N)=O)C(C)(C)O)cc1
InChIInChI=1S/C16H25NO2S/c1-4-5-6-12-7-9-13(10-8-12)20-14(11-15(17)18)16(2,3)19/h7-10,14,19H,4-6,11H2,1-3H3,(H2,17,18)
InChIKeyORMOBZLISQHSRY-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.14
Rot. Bonds8

About 3-(4-butylphenyl)sulfanyl-4-hydroxy-4-methylpentanamide

3-(4-butylphenyl)sulfanyl-4-hydroxy-4-methylpentanamide (PubChem CID 11843228) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 3-(4-butylphenyl)sulfanyl-4-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name3-(4-butylphenyl)sulfanyl-4-hydroxy-4-methylpentanamide
PubChem CID11843228
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name3-(4-butylphenyl)sulfanyl-4-hydroxy-4-methylpentanamide
SMILESCCCCc1ccc(SC(CC(N)=O)C(C)(C)O)cc1
InChIInChI=1S/C16H25NO2S/c1-4-5-6-12-7-9-13(10-8-12)20-14(11-15(17)18)16(2,3)19/h7-10,14,19H,4-6,11H2,1-3H3,(H2,17,18)
InChIKeyORMOBZLISQHSRY-UHFFFAOYSA-N
XLogP3.14
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Benzeneacetamide, 4-((1-methylethyl)thio)-
CID 827349
Acetohydroxamic acid, 2-(p-butylthio)phenyl-
CID 16946
Acetohydroxamic acid, (p-pentylthio)phenyl-
CID 44980
(2S)-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]hexanamide
CID 11196428
4-(4-Butylphenyl)sulfanyl-3-hydroxy-4-methylpentanamide
CID 11842911
3-Hydroxy-4-methyl-4-(4-methylphenyl)sulfanylpentanamide
CID 11843224
N-hydroxy-2-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]sulfanyloctanamide
CID 17897313
3-[4-(3-Methylbutylsulfanyl)phenyl]propanamide
CID 20572934
2-[4-(Ethylthio)phenyl]acetamide
CID 57446265
4-Hydroxy-4-(4-methylphenyl)sulfanylbutanamide
CID 68279673
3-(4-Methylsulfanylphenyl)propanamide
CID 69528675
N-hydroxy-4-(4-methylphenyl)sulfanylbutanamide
CID 88920342

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylphenyl)sulfanyl-4-hydroxy-4-methylpentanamide?
The IUPAC name of 3-(4-butylphenyl)sulfanyl-4-hydroxy-4-methylpentanamide (CID 11843228) is 3-(4-butylphenyl)sulfanyl-4-hydroxy-4-methylpentanamide.
What is the SMILES notation for 3-(4-butylphenyl)sulfanyl-4-hydroxy-4-methylpentanamide?
The canonical SMILES for 3-(4-butylphenyl)sulfanyl-4-hydroxy-4-methylpentanamide is CCCCc1ccc(SC(CC(N)=O)C(C)(C)O)cc1.
What is the InChIKey of 3-(4-butylphenyl)sulfanyl-4-hydroxy-4-methylpentanamide?
The InChIKey is ORMOBZLISQHSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-4-5-6-12-7-9-13(10-8-12)20-14(11-15(17)18)16(2,3)19/h7-10,14,19H,4-6,11H2,1-3H3,(H2,17,18).
What are the key properties of 3-(4-butylphenyl)sulfanyl-4-hydroxy-4-methylpentanamide?
3-(4-butylphenyl)sulfanyl-4-hydroxy-4-methylpentanamide has a molecular weight of 295.45 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylphenyl)sulfanyl-4-hydroxy-4-methylpentanamide is sourced from PubChem (CID 11843228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).