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

C12H16FNO2S — CID 63791044

IUPAC2-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)S(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2S/c1-8(2)14-12(15)9(3)17(16)11-6-4-10(13)5-7-11/h4-9H,1-3H3,(H,14,15)
InChIKeyGZRXQWJKWBGAHK-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.85
Rot. Bonds4

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

2-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide (PubChem CID 63791044) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide
PubChem CID63791044
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name2-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)S(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2S/c1-8(2)14-12(15)9(3)17(16)11-6-4-10(13)5-7-11/h4-9H,1-3H3,(H,14,15)
InChIKeyGZRXQWJKWBGAHK-UHFFFAOYSA-N
XLogP1.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

2-(4-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide
CID 63792090
N,N-diethyl-2-(4-fluorophenyl)sulfinylpropanamide
CID 63793163
3-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide
CID 63792984
(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide
CID 94335659
1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene
CID 139197607
1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one
CID 64635745
4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]sulfinylbenzoic acid
CID 60982613
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81347234
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 43084839
1-(4-fluorophenyl)-1-methyl-3-propan-2-ylurea
CID 115588406
2-cyclopropyl-2-(4-fluorophenyl)-N-propan-2-ylacetamide
CID 110355345
4-amino-2-(4-fluorophenyl)sulfinylbutanoic acid
CID 64696083

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide?
The IUPAC name of 2-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide (CID 63791044) is 2-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)S(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide?
The InChIKey is GZRXQWJKWBGAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-8(2)14-12(15)9(3)17(16)11-6-4-10(13)5-7-11/h4-9H,1-3H3,(H,14,15).
What are the key properties of 2-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide?
2-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide has a molecular weight of 257.33 g/mol, XLogP of 1.85, 4 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-propan-2-ylpropanamide is sourced from PubChem (CID 63791044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).