N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide

C16H25NO3S — CID 103801148

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCSC(CO)C(C)NC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C16H25NO3S/c1-11(2)13-7-5-6-8-14(13)20-10-16(19)17-12(3)15(9-18)21-4/h5-8,11-12,15,18H,9-10H2,1-4H3,(H,17,19)
InChIKeyFELXJPGCDZLGKX-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.42
Rot. Bonds8

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 103801148) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID103801148
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCSC(CO)C(C)NC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C16H25NO3S/c1-11(2)13-7-5-6-8-14(13)20-10-16(19)17-12(3)15(9-18)21-4/h5-8,11-12,15,18H,9-10H2,1-4H3,(H,17,19)
InChIKeyFELXJPGCDZLGKX-UHFFFAOYSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 65315716
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-propan-2-ylphenoxy)acetamide
CID 103801162
2-(2-chloro-4-fluorophenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103801304
2-(2-chloro-5-methylphenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103801265
2-(4-chloro-2-methylphenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103801467
2-(4-bromophenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103798879
3-(2-chlorophenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103798898
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-(2-methylphenoxy)butanamide
CID 103798851
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
2-[2-[1-(methylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489481
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-phenoxybutanamide
CID 103801268

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide (CID 103801148) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide is CSC(CO)C(C)NC(=O)COc1ccccc1C(C)C.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is FELXJPGCDZLGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-11(2)13-7-5-6-8-14(13)20-10-16(19)17-12(3)15(9-18)21-4/h5-8,11-12,15,18H,9-10H2,1-4H3,(H,17,19).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 311.45 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 103801148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).