2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-propylphenyl)acetamide

C15H23NO2S — CID 66103845

IUPAC2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CSCC(C)CO)cc1
InChIInChI=1S/C15H23NO2S/c1-3-4-13-5-7-14(8-6-13)16-15(18)11-19-10-12(2)9-17/h5-8,12,17H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyGDRQZIPAHDRVKK-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.94
Rot. Bonds8

About 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-propylphenyl)acetamide

2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-propylphenyl)acetamide (PubChem CID 66103845) 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-(4-propylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-propylphenyl)acetamide
PubChem CID66103845
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CSCC(C)CO)cc1
InChIInChI=1S/C15H23NO2S/c1-3-4-13-5-7-14(8-6-13)16-15(18)11-19-10-12(2)9-17/h5-8,12,17H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyGDRQZIPAHDRVKK-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-propylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66104887
2-(3-aminobutylsulfanyl)-N-(4-propylphenyl)acetamide
CID 66233973
2-methylsulfanyl-N-(4-propylphenyl)acetamide
CID 112765657
2-(4-aminobutan-2-ylsulfanyl)-N-(4-propylphenyl)acetamide
CID 66230503
2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide
CID 2228588
2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide
CID 79682862
2-amino-N-(4-propylphenyl)acetamide
CID 43216495
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66102568
N-(2-ethyl-6-methylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66102896
N-(4-iodophenyl)-2-(2-methylpropylsulfanyl)acetamide
CID 112779393
N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 79682889

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-propylphenyl)acetamide?
The IUPAC name of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-propylphenyl)acetamide (CID 66103845) is 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-propylphenyl)acetamide.
What is the SMILES notation for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-propylphenyl)acetamide?
The canonical SMILES for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-propylphenyl)acetamide is CCCc1ccc(NC(=O)CSCC(C)CO)cc1.
What is the InChIKey of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-propylphenyl)acetamide?
The InChIKey is GDRQZIPAHDRVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-4-13-5-7-14(8-6-13)16-15(18)11-19-10-12(2)9-17/h5-8,12,17H,3-4,9-11H2,1-2H3,(H,16,18).
What are the key properties of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-propylphenyl)acetamide?
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-propylphenyl)acetamide has a molecular weight of 281.42 g/mol, XLogP of 2.94, 8 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-(4-propylphenyl)acetamide is sourced from PubChem (CID 66103845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).