2-(3-hydroxy-2-methylpropyl)sulfanyl-2-phenylacetamide

C12H17NO2S — CID 111463895

IUPAC2-(3-hydroxy-2-methylpropyl)sulfanyl-2-phenylacetamide
SMILESCC(CO)CSC(C(N)=O)c1ccccc1
InChIInChI=1S/C12H17NO2S/c1-9(7-14)8-16-11(12(13)15)10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3,(H2,13,15)
InChIKeyVMFOMOQQJUHAMB-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.57
Rot. Bonds6

About 2-(3-hydroxy-2-methylpropyl)sulfanyl-2-phenylacetamide

2-(3-hydroxy-2-methylpropyl)sulfanyl-2-phenylacetamide (PubChem CID 111463895) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methylpropyl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(3-hydroxy-2-methylpropyl)sulfanyl-2-phenylacetamide
PubChem CID111463895
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(3-hydroxy-2-methylpropyl)sulfanyl-2-phenylacetamide
SMILESCC(CO)CSC(C(N)=O)c1ccccc1
InChIInChI=1S/C12H17NO2S/c1-9(7-14)8-16-11(12(13)15)10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3,(H2,13,15)
InChIKeyVMFOMOQQJUHAMB-UHFFFAOYSA-N
XLogP1.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.57
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
[3-[(2-Amino-1-cyclopentyl-2-oxoethyl)sulfanylmethyl]phenyl]boronic acid
CID 162674251
Acetohydroxamic acid, (p-pentylthio)phenyl-
CID 44980
Benzeneacetamide, alpha-methyl-4-((1-methylethyl)thio)-
CID 3075987
2-Cyano-3-(2-hydroxyethylsulfanyl)-3-phenylpropanamide
CID 102341747
2-Benzyl-3-(2-sulfanylethylsulfanyl)propanamide
CID 44370108
2-Benzyl-4-(2-sulfanylethylsulfanyl)butanamide
CID 44370117
2-Cyclopentylsulfanyl-2-(4-fluorophenyl)acetamide
CID 45863814
2-(2-Methoxyethylsulfanyl)-2-phenylacetamide
CID 75374716
2-(Oxan-4-ylsulfanyl)-2-phenylacetamide
CID 75389696
S-(7-amino-7-oxoheptyl) 3-(3-fluorophenyl)propanethioate
CID 163269946

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methylpropyl)sulfanyl-2-phenylacetamide?
The IUPAC name of 2-(3-hydroxy-2-methylpropyl)sulfanyl-2-phenylacetamide (CID 111463895) is 2-(3-hydroxy-2-methylpropyl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for 2-(3-hydroxy-2-methylpropyl)sulfanyl-2-phenylacetamide?
The canonical SMILES for 2-(3-hydroxy-2-methylpropyl)sulfanyl-2-phenylacetamide is CC(CO)CSC(C(N)=O)c1ccccc1.
What is the InChIKey of 2-(3-hydroxy-2-methylpropyl)sulfanyl-2-phenylacetamide?
The InChIKey is VMFOMOQQJUHAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9(7-14)8-16-11(12(13)15)10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3,(H2,13,15).
What are the key properties of 2-(3-hydroxy-2-methylpropyl)sulfanyl-2-phenylacetamide?
2-(3-hydroxy-2-methylpropyl)sulfanyl-2-phenylacetamide has a molecular weight of 239.34 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-methylpropyl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 111463895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).