2-(2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide

C13H18FNO2S — CID 63791234

IUPAC2-(2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CS(=O)c1ccccc1F
InChIInChI=1S/C13H18FNO2S/c1-3-6-10(2)15-13(16)9-18(17)12-8-5-4-7-11(12)14/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,15,16)
InChIKeyQAUAGQIPWOJUDM-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.24
Rot. Bonds6

About 2-(2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide

2-(2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide (PubChem CID 63791234) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide
PubChem CID63791234
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name2-(2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CS(=O)c1ccccc1F
InChIInChI=1S/C13H18FNO2S/c1-3-6-10(2)15-13(16)9-18(17)12-8-5-4-7-11(12)14/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,15,16)
InChIKeyQAUAGQIPWOJUDM-UHFFFAOYSA-N
XLogP2.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide
CID 81191932
3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
CID 94133800
2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide
CID 81180529
N-cyclohexyl-2-(2-fluorophenyl)sulfinylacetamide
CID 63792281
2-(2-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
CID 64637840
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide
CID 61302033
2-(2-fluoroanilino)-N-pentan-2-ylpropanamide
CID 43113411
N-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide
CID 61301651
N-[(2S)-pentan-2-yl]-3,3-diphenylpropanamide
CID 2268559
1-cyclopropyl-2-(2-fluorophenyl)sulfinylethanone
CID 64635571
2-(2-amino-4-chlorophenyl)sulfinyl-N-butan-2-ylacetamide
CID 81174970
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide (CID 63791234) is 2-(2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CS(=O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide?
The InChIKey is QAUAGQIPWOJUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-3-6-10(2)15-13(16)9-18(17)12-8-5-4-7-11(12)14/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide?
2-(2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide has a molecular weight of 271.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide is sourced from PubChem (CID 63791234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).