3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide

C12H16FNO2S — CID 63792984

IUPAC3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCS(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2S/c1-9(2)14-12(15)7-8-17(16)11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyPHKDKDZEIAGORR-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.85
Rot. Bonds5

About 3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide

3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide (PubChem CID 63792984) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide
PubChem CID63792984
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCS(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2S/c1-9(2)14-12(15)7-8-17(16)11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyPHKDKDZEIAGORR-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropan-1-amine
CID 64657510
2-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide
CID 63791044
6-(4-fluorophenyl)sulfinylhexan-2-one
CID 64635188
2-(4-fluorophenyl)sulfinyl-N-(2-methylpropyl)acetamide
CID 63790699
2-(4-fluorophenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 112517412
3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid
CID 61304128
N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940880
2-[[4-(4-fluorophenyl)-4-oxobutyl]-methylamino]-N-propan-2-ylacetamide
CID 60696268
3-(5-amino-2-methylphenyl)sulfinyl-N-propan-2-ylpropanamide
CID 81190771
N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide
CID 44996874
N-[3-(4-fluorophenyl)sulfinylpropyl]-2-methylpropan-1-amine
CID 64657509
N-[2-(4-fluorophenyl)sulfinylethyl]propan-1-amine
CID 64659465

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide (CID 63792984) is 3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide is CC(C)NC(=O)CCS(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide?
The InChIKey is PHKDKDZEIAGORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-9(2)14-12(15)7-8-17(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 3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide?
3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide has a molecular weight of 257.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 63792984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).