2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide

C16H16FNO2S — CID 123099889

IUPAC2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)S(=O)Cc1ccccc1F
InChIInChI=1S/C16H16FNO2S/c1-12(16(19)18-14-8-3-2-4-9-14)21(20)11-13-7-5-6-10-15(13)17/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyBTMLOXXIANTLGV-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.10
Rot. Bonds5

About 2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide

2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide (PubChem CID 123099889) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide
PubChem CID123099889
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)S(=O)Cc1ccccc1F
InChIInChI=1S/C16H16FNO2S/c1-12(16(19)18-14-8-3-2-4-9-14)21(20)11-13-7-5-6-10-15(13)17/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyBTMLOXXIANTLGV-UHFFFAOYSA-N
XLogP3.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-benzyl-2-[(R)-(2-fluorophenyl)methylsulfinyl]propanamide
CID 95599409
(2R)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-phenylpropanamide
CID 95332151
2-(2-fluorophenyl)sulfinyl-N-phenylpropanamide
CID 63792456
(2S)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169350
(2R)-2-[(R)-benzylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169351
(2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
CID 95599423
(2R)-N-phenyl-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide
CID 95330395
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 46802310
N-phenyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
CID 56808130
2-[(2-fluorophenyl)methyl-methylamino]-N,2-diphenylacetamide
CID 18124307
(2S)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-(2-fluorophenyl)propanamide
CID 95169378
1-[(2-fluorophenyl)methyl]-1-(2-hydroxypropyl)-3-phenylthiourea
CID 4911755

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide (CID 123099889) is 2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide is CC(C(=O)Nc1ccccc1)S(=O)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide?
The InChIKey is BTMLOXXIANTLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-12(16(19)18-14-8-3-2-4-9-14)21(20)11-13-7-5-6-10-15(13)17/h2-10,12H,11H2,1H3,(H,18,19).
What are the key properties of 2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide?
2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide has a molecular weight of 305.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfinyl]-N-phenylpropanamide is sourced from PubChem (CID 123099889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).