2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide

C14H18FNO2S — CID 51149797

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide
SMILESCC(=O)c1ccc(SCC(=O)NC(C)(C)C)c(F)c1
InChIInChI=1S/C14H18FNO2S/c1-9(17)10-5-6-12(11(15)7-10)19-8-13(18)16-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,18)
InChIKeyHNMDMCCHEFQOCV-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.04
Rot. Bonds4

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide (PubChem CID 51149797) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide
PubChem CID51149797
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide
SMILESCC(=O)c1ccc(SCC(=O)NC(C)(C)C)c(F)c1
InChIInChI=1S/C14H18FNO2S/c1-9(17)10-5-6-12(11(15)7-10)19-8-13(18)16-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,18)
InChIKeyHNMDMCCHEFQOCV-UHFFFAOYSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide
CID 35432170
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 31504385
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 31504901
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-amino-3,5-dichlorophenyl)acetamide
CID 51193247
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide
CID 35612850
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 55713467
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
CID 35830804
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenoxyethyl)acetamide
CID 51146548
1-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide
CID 55983329
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363809
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 31482762
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 34192175

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide (CID 51149797) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide is CC(=O)c1ccc(SCC(=O)NC(C)(C)C)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide?
The InChIKey is HNMDMCCHEFQOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c1-9(17)10-5-6-12(11(15)7-10)19-8-13(18)16-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,18).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide has a molecular weight of 283.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide is sourced from PubChem (CID 51149797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).