2-tert-butylsulfanyl-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]acetamide

C15H18FNO2S — CID 60804365

IUPAC2-tert-butylsulfanyl-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
SMILESCC(C)(C)SCC(=O)Nc1ccc(F)cc1C#CCO
InChIInChI=1S/C15H18FNO2S/c1-15(2,3)20-10-14(19)17-13-7-6-12(16)9-11(13)5-4-8-18/h6-7,9,18H,8,10H2,1-3H3,(H,17,19)
InChIKeyMBIXAUNBVOXSMZ-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.64
Rot. Bonds3

About 2-tert-butylsulfanyl-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]acetamide

2-tert-butylsulfanyl-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]acetamide (PubChem CID 60804365) has the molecular formula C15H18FNO2S and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
PubChem CID60804365
Molecular FormulaC15H18FNO2S
Molecular Weight295.38 g/mol
Exact Mass295.10
IUPAC Name2-tert-butylsulfanyl-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
SMILESCC(C)(C)SCC(=O)Nc1ccc(F)cc1C#CCO
InChIInChI=1S/C15H18FNO2S/c1-15(2,3)20-10-14(19)17-13-7-6-12(16)9-11(13)5-4-8-18/h6-7,9,18H,8,10H2,1-3H3,(H,17,19)
InChIKeyMBIXAUNBVOXSMZ-UHFFFAOYSA-N
XLogP2.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-tert-butylsulfanyl-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)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-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylpropanamide
CID 60804187
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpropane-2-sulfonamide
CID 55232817
1-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-propylurea
CID 54922681
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-thiophen-3-ylacetamide
CID 60803490
2-tert-butylsulfanyl-N-[5-chloro-2-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 81267904
2-methylpropyl N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]carbamate
CID 54922634
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylsulfonylpropanamide
CID 104520912
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-3-carboxamide
CID 60803152
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-pyridin-3-ylacetamide
CID 62688853
5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
CID 104639388
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclohexane-1-carboxamide
CID 106828189
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-5-methylfuran-3-carboxamide
CID 114822142

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]acetamide (CID 60804365) is 2-tert-butylsulfanyl-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]acetamide is CC(C)(C)SCC(=O)Nc1ccc(F)cc1C#CCO.
What is the InChIKey of 2-tert-butylsulfanyl-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
The InChIKey is MBIXAUNBVOXSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2S/c1-15(2,3)20-10-14(19)17-13-7-6-12(16)9-11(13)5-4-8-18/h6-7,9,18H,8,10H2,1-3H3,(H,17,19).
What are the key properties of 2-tert-butylsulfanyl-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
2-tert-butylsulfanyl-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]acetamide has a molecular weight of 295.38 g/mol, XLogP of 2.64, 3 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-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]acetamide is sourced from PubChem (CID 60804365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).