2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)acetamide

C13H18FNO2S — CID 65109835

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCC(C)(O)CNC(=O)CSCc1ccc(F)cc1
InChIInChI=1S/C13H18FNO2S/c1-13(2,17)9-15-12(16)8-18-7-10-3-5-11(14)6-4-10/h3-6,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyCDMASAVTBCRZOR-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.95
Rot. Bonds6

About 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)acetamide

2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)acetamide (PubChem CID 65109835) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)acetamide
PubChem CID65109835
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCC(C)(O)CNC(=O)CSCc1ccc(F)cc1
InChIInChI=1S/C13H18FNO2S/c1-13(2,17)9-15-12(16)8-18-7-10-3-5-11(14)6-4-10/h3-6,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyCDMASAVTBCRZOR-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)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-tert-butyl-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 28579550
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 3324372
N-[(4-ethylphenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 5045191
3-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]propanoic acid
CID 43092403
5-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 110306829
4-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-4-methylpentanoic acid
CID 62043499
2-benzylsulfanyl-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65112666
2-[(4-fluorophenyl)methylsulfanyl]-N-(4-hydroxypentyl)acetamide
CID 107299863
4-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-3-methylbutanoic acid
CID 81063431
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 95984125
N-[[4-(diethylamino)phenyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 100599953
2-benzylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78760684

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)acetamide (CID 65109835) is 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)acetamide is CC(C)(O)CNC(=O)CSCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)acetamide?
The InChIKey is CDMASAVTBCRZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-13(2,17)9-15-12(16)8-18-7-10-3-5-11(14)6-4-10/h3-6,17H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)acetamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 65109835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).