2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]acetamide

C14H21NO2S — CID 61222140

IUPAC2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]acetamide
SMILESCC(C)(C)SCC(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C14H21NO2S/c1-14(2,3)18-10-13(17)15-12-6-4-11(5-7-12)8-9-16/h4-7,16H,8-10H2,1-3H3,(H,15,17)
InChIKeyWIZCUWKOUPLJDV-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.69
Rot. Bonds5

About 2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]acetamide

2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]acetamide (PubChem CID 61222140) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]acetamide
PubChem CID61222140
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]acetamide
SMILESCC(C)(C)SCC(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C14H21NO2S/c1-14(2,3)18-10-13(17)15-12-6-4-11(5-7-12)8-9-16/h4-7,16H,8-10H2,1-3H3,(H,15,17)
InChIKeyWIZCUWKOUPLJDV-UHFFFAOYSA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]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-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
N-[4-(2-hydroxyethyl)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 61221777
tert-butyl 4-[4-(2-hydroxyethyl)anilino]-4-oxobutanoate
CID 106707086
N-[4-(2-hydroxyethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103771888
3-amino-N-[4-(2-hydroxyethyl)phenyl]-3-sulfanylidenepropanamide
CID 61236630
2-anilino-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 61237525
5-[(2-tert-butylsulfanylacetyl)amino]benzene-1,3-dicarboxylic acid
CID 60645677
2-methylsulfanyl-N-(4-propylphenyl)acetamide
CID 112765657
3-amino-N-[4-(2-hydroxyethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119705445
2-tert-butylsulfanyl-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]acetamide
CID 63334317
N-[4-(2-bromoethyl)phenyl]-3,3-dimethylbutanamide
CID 114310364
2-bromo-5-[(2-tert-butylsulfanylacetyl)amino]benzoic acid
CID 115295599

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]acetamide (CID 61222140) is 2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]acetamide is CC(C)(C)SCC(=O)Nc1ccc(CCO)cc1.
What is the InChIKey of 2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]acetamide?
The InChIKey is WIZCUWKOUPLJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-14(2,3)18-10-13(17)15-12-6-4-11(5-7-12)8-9-16/h4-7,16H,8-10H2,1-3H3,(H,15,17).
What are the key properties of 2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]acetamide?
2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]acetamide has a molecular weight of 267.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]acetamide is sourced from PubChem (CID 61222140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).