2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide

C20H24FNO2S2 — CID 55904162

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide
SMILESCCC(CC)C(NC(=O)CSc1ccc(C(C)=O)cc1F)c1cccs1
InChIInChI=1S/C20H24FNO2S2/c1-4-14(5-2)20(18-7-6-10-25-18)22-19(24)12-26-17-9-8-15(13(3)23)11-16(17)21/h6-11,14,20H,4-5,12H2,1-3H3,(H,22,24)
InChIKeyMHVILSYLYLLOPV-UHFFFAOYSA-N
MW393.55 g/mol
LogP5.48
Rot. Bonds9

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide (PubChem CID 55904162) has the molecular formula C20H24FNO2S2 and a molecular weight of 393.55 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide
PubChem CID55904162
Molecular FormulaC20H24FNO2S2
Molecular Weight393.55 g/mol
Exact Mass393.12
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide
SMILESCCC(CC)C(NC(=O)CSc1ccc(C(C)=O)cc1F)c1cccs1
InChIInChI=1S/C20H24FNO2S2/c1-4-14(5-2)20(18-7-6-10-25-18)22-19(24)12-26-17-9-8-15(13(3)23)11-16(17)21/h6-11,14,20H,4-5,12H2,1-3H3,(H,22,24)
InChIKeyMHVILSYLYLLOPV-UHFFFAOYSA-N
XLogP5.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.55
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-ethyl-1-thiophen-2-ylbutyl)propanamide
CID 119300986
N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-(2-fluorophenyl)acetamide
CID 51966644
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide
CID 51149797
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide
CID 35432170
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 55713467
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 31504385
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-[(4-methylphenyl)methyl]acetamide
CID 31504901
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-quinolin-3-ylacetamide
CID 29330895
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-phenoxyethyl)acetamide
CID 51146548
N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-2-propan-2-ylsulfonylacetamide
CID 94635932

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide (CID 55904162) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide is CCC(CC)C(NC(=O)CSc1ccc(C(C)=O)cc1F)c1cccs1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide?
The InChIKey is MHVILSYLYLLOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2S2/c1-4-14(5-2)20(18-7-6-10-25-18)22-19(24)12-26-17-9-8-15(13(3)23)11-16(17)21/h6-11,14,20H,4-5,12H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide has a molecular weight of 393.55 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide is sourced from PubChem (CID 55904162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).