2-hydroxy-N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide

C14H21NO2S — CID 115178682

IUPAC2-hydroxy-N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide
SMILESCC(C)Sc1ccc(N(C)C(=O)C(C)(C)O)cc1
InChIInChI=1S/C14H21NO2S/c1-10(2)18-12-8-6-11(7-9-12)15(5)13(16)14(3,4)17/h6-10,17H,1-5H3
InChIKeyQOKPRJGTHYUXSA-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.92
Rot. Bonds4

About 2-hydroxy-N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide

2-hydroxy-N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide (PubChem CID 115178682) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-hydroxy-N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-hydroxy-N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide
PubChem CID115178682
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-hydroxy-N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide
SMILESCC(C)Sc1ccc(N(C)C(=O)C(C)(C)O)cc1
InChIInChI=1S/C14H21NO2S/c1-10(2)18-12-8-6-11(7-9-12)15(5)13(16)14(3,4)17/h6-10,17H,1-5H3
InChIKeyQOKPRJGTHYUXSA-UHFFFAOYSA-N
XLogP2.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide 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-methyl-N-(4-propan-2-ylsulfanylphenyl)-2-sulfanylacetamide
CID 115167080
N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 103429961
2-(4-propan-2-ylsulfanylphenyl)propan-2-ol
CID 84677942
N-methyl-N-propan-2-yl-4-propan-2-ylsulfanylaniline
CID 117043923
bis(4-propan-2-ylsulfanylphenyl)methanone
CID 134098559
2-(N-methyl-4-propan-2-ylsulfanylanilino)cyclopropane-1-carboxylic acid
CID 117042598
methyl 3-(N-methyl-4-propan-2-ylsulfanylanilino)propanoate
CID 115232328
1-N,2-N,2-trimethyl-2-N-(4-propan-2-ylsulfanylphenyl)propane-1,2-diamine
CID 115132596
N'-methyl-N'-(4-propan-2-ylsulfanylphenyl)methanediamine
CID 115225597
4-propan-2-ylsulfanylaniline;2,3,3-trimethylbutan-2-ol
CID 176999975
2-hydroxy-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 115178687
2-methyl-2-[[methyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]methyl]propane-1,3-diol
CID 110027589

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide?
The IUPAC name of 2-hydroxy-N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide (CID 115178682) is 2-hydroxy-N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-hydroxy-N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide?
The canonical SMILES for 2-hydroxy-N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide is CC(C)Sc1ccc(N(C)C(=O)C(C)(C)O)cc1.
What is the InChIKey of 2-hydroxy-N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide?
The InChIKey is QOKPRJGTHYUXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10(2)18-12-8-6-11(7-9-12)15(5)13(16)14(3,4)17/h6-10,17H,1-5H3.
What are the key properties of 2-hydroxy-N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide?
2-hydroxy-N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide has a molecular weight of 267.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)propanamide is sourced from PubChem (CID 115178682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).