2-(4-fluorophenyl)sulfinyl-N-(2-methylpropyl)acetamide

C12H16FNO2S — CID 63790699

IUPAC2-(4-fluorophenyl)sulfinyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CS(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2S/c1-9(2)7-14-12(15)8-17(16)11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyRGECGDDMUYCJKN-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.71
Rot. Bonds5

About 2-(4-fluorophenyl)sulfinyl-N-(2-methylpropyl)acetamide

2-(4-fluorophenyl)sulfinyl-N-(2-methylpropyl)acetamide (PubChem CID 63790699) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfinyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfinyl-N-(2-methylpropyl)acetamide
PubChem CID63790699
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name2-(4-fluorophenyl)sulfinyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CS(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2S/c1-9(2)7-14-12(15)8-17(16)11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyRGECGDDMUYCJKN-UHFFFAOYSA-N
XLogP1.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyanomethyl)-2-(4-fluorophenyl)sulfinylacetamide
CID 64715227
2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
CID 63792276
3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide
CID 63792984
N-[3-(4-fluorophenyl)sulfinylpropyl]-2-methylpropan-1-amine
CID 64657509
3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid
CID 61304128
1-(4-fluorophenyl)-3-(2-methylpropyl)urea
CID 17390126
4-(4-fluorophenoxy)-N-(2-methylpropyl)butanamide
CID 60724885
2-(4-fluorophenyl)sulfinyl-N-(3-methoxyphenyl)acetamide
CID 63793167
2-[2-(2-methylpropylamino)-2-oxoethyl]sulfinyl-3-phenylpropanoic acid
CID 60982880
3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide
CID 48846361
2-(2-amino-5-fluorophenyl)sulfinyl-N-(3-methylbutyl)acetamide
CID 81182738
2-[(S)-(3,4-dichlorophenyl)methylsulfinyl]-N-(2-methylpropyl)acetamide
CID 95303463

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfinyl-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfinyl-N-(2-methylpropyl)acetamide (CID 63790699) is 2-(4-fluorophenyl)sulfinyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfinyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfinyl-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CS(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfinyl-N-(2-methylpropyl)acetamide?
The InChIKey is RGECGDDMUYCJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-9(2)7-14-12(15)8-17(16)11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-fluorophenyl)sulfinyl-N-(2-methylpropyl)acetamide?
2-(4-fluorophenyl)sulfinyl-N-(2-methylpropyl)acetamide has a molecular weight of 257.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfinyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 63790699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).