N-(4-fluorophenyl)-3-[(S)-(2-methylphenyl)methylsulfinyl]propanamide

C17H18FNO2S — CID 94795976

IUPACN-(4-fluorophenyl)-3-[(S)-(2-methylphenyl)methylsulfinyl]propanamide
SMILESCc1ccccc1C[S@@](=O)CCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H18FNO2S/c1-13-4-2-3-5-14(13)12-22(21)11-10-17(20)19-16-8-6-15(18)7-9-16/h2-9H,10-12H2,1H3,(H,19,20)/t22-/m0/s1
InChIKeyZNUBHMVGYXMUCK-QFIPXVFZSA-N
MW319.40 g/mol
LogP3.41
Rot. Bonds6

About N-(4-fluorophenyl)-3-[(S)-(2-methylphenyl)methylsulfinyl]propanamide

N-(4-fluorophenyl)-3-[(S)-(2-methylphenyl)methylsulfinyl]propanamide (PubChem CID 94795976) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[(S)-(2-methylphenyl)methylsulfinyl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[(S)-(2-methylphenyl)methylsulfinyl]propanamide
PubChem CID94795976
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC NameN-(4-fluorophenyl)-3-[(S)-(2-methylphenyl)methylsulfinyl]propanamide
SMILESCc1ccccc1C[S@@](=O)CCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H18FNO2S/c1-13-4-2-3-5-14(13)12-22(21)11-10-17(20)19-16-8-6-15(18)7-9-16/h2-9H,10-12H2,1H3,(H,19,20)/t22-/m0/s1
InChIKeyZNUBHMVGYXMUCK-QFIPXVFZSA-N
XLogP3.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-3-[(S)-(4-methylphenyl)methylsulfinyl]propanamide
CID 94795972
N-(4-fluorophenyl)-2-[2-(2-methylphenyl)ethylamino]acetamide
CID 78915505
3-[(4-tert-butylphenyl)methylsulfinyl]-N-(4-fluorophenyl)propanamide
CID 47087807
N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide
CID 108952924
3-ethylsulfinyl-N-phenylpropanamide
CID 143299200
4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9040199
N-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide
CID 64781649
3-[(S)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(4-fluorophenyl)propanamide
CID 96562858
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(2-methylphenyl)propanamide
CID 110673094
[2-(2-methylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
CID 9067527
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825
N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 46467442

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[(S)-(2-methylphenyl)methylsulfinyl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-3-[(S)-(2-methylphenyl)methylsulfinyl]propanamide (CID 94795976) is N-(4-fluorophenyl)-3-[(S)-(2-methylphenyl)methylsulfinyl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[(S)-(2-methylphenyl)methylsulfinyl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[(S)-(2-methylphenyl)methylsulfinyl]propanamide is Cc1ccccc1C[S@@](=O)CCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-[(S)-(2-methylphenyl)methylsulfinyl]propanamide?
The InChIKey is ZNUBHMVGYXMUCK-QFIPXVFZSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-13-4-2-3-5-14(13)12-22(21)11-10-17(20)19-16-8-6-15(18)7-9-16/h2-9H,10-12H2,1H3,(H,19,20)/t22-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-3-[(S)-(2-methylphenyl)methylsulfinyl]propanamide?
N-(4-fluorophenyl)-3-[(S)-(2-methylphenyl)methylsulfinyl]propanamide has a molecular weight of 319.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[(S)-(2-methylphenyl)methylsulfinyl]propanamide is sourced from PubChem (CID 94795976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).