2-(4-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide

C14H20FNO2S — CID 63792090

IUPAC2-(4-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)S(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2S/c1-4-5-10(2)16-14(17)11(3)19(18)13-8-6-12(15)7-9-13/h6-11H,4-5H2,1-3H3,(H,16,17)
InChIKeyVURAMOLQZLWITK-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.63
Rot. Bonds6

About 2-(4-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide

2-(4-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide (PubChem CID 63792090) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide
PubChem CID63792090
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name2-(4-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)S(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2S/c1-4-5-10(2)16-14(17)11(3)19(18)13-8-6-12(15)7-9-13/h6-11H,4-5H2,1-3H3,(H,16,17)
InChIKeyVURAMOLQZLWITK-UHFFFAOYSA-N
XLogP2.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide
CID 63791044
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide
CID 40612538
2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide
CID 81192671
N,N-diethyl-2-(4-fluorophenyl)sulfinylpropanamide
CID 63793163
5-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]sulfinylfuran-2-carboxylic acid
CID 63946988
4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]sulfinylbenzoic acid
CID 60982613
1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one
CID 64635745
ethyl 2-(4-fluorophenyl)sulfinylbutanoate
CID 64661886
3-(4-fluorophenyl)sulfinyl-N-propylheptan-4-amine
CID 64657309
3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide
CID 63792984
2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 62994798
4-fluoro-N-pentan-2-ylaniline
CID 15724808

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(4-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide (CID 63792090) is 2-(4-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)S(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide?
The InChIKey is VURAMOLQZLWITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-4-5-10(2)16-14(17)11(3)19(18)13-8-6-12(15)7-9-13/h6-11H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide?
2-(4-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide has a molecular weight of 285.38 g/mol, XLogP of 2.63, 6 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-pentan-2-ylpropanamide is sourced from PubChem (CID 63792090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).