2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide

C15H23NO2S — CID 66103390

IUPAC2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(CO)CSCC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C15H23NO2S/c1-11(2)13-6-4-5-7-14(13)16-15(18)10-19-9-12(3)8-17/h4-7,11-12,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyVGXADKSAWLAXQK-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.11
Rot. Bonds7

About 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide

2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 66103390) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
PubChem CID66103390
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(CO)CSCC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C15H23NO2S/c1-11(2)13-6-4-5-7-14(13)16-15(18)10-19-9-12(3)8-17/h4-7,11-12,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyVGXADKSAWLAXQK-UHFFFAOYSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66102705
N-(2-tert-butylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 111542622
2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 112781301
2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 802169
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
N-(2-propan-2-ylphenyl)propanamide
CID 723442
N-(3-methylphenyl)-2-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanylacetamide
CID 7731424
N-(2,4-dichlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 111542477
2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 7870586
N-(4-chloro-2-fluorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66103783
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
2-nitroso-N-(2-propan-2-ylphenyl)acetamide
CID 91475814

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide (CID 66103390) is 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide is CC(CO)CSCC(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is VGXADKSAWLAXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11(2)13-6-4-5-7-14(13)16-15(18)10-19-9-12(3)8-17/h4-7,11-12,17H,8-10H2,1-3H3,(H,16,18).
What are the key properties of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide?
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 281.42 g/mol, XLogP of 3.11, 7 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-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 66103390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).