N-(3-fluoro-4-methylsulfinylphenyl)propanamide

C10H12FNO2S — CID 154749149

IUPACN-(3-fluoro-4-methylsulfinylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(S(C)=O)c(F)c1
InChIInChI=1S/C10H12FNO2S/c1-3-10(13)12-7-4-5-9(15(2)14)8(11)6-7/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyNPPIQAGKANWRRM-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.91
Rot. Bonds3

About N-(3-fluoro-4-methylsulfinylphenyl)propanamide

N-(3-fluoro-4-methylsulfinylphenyl)propanamide (PubChem CID 154749149) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(3-fluoro-4-methylsulfinylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylsulfinylphenyl)propanamide
PubChem CID154749149
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC NameN-(3-fluoro-4-methylsulfinylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(S(C)=O)c(F)c1
InChIInChI=1S/C10H12FNO2S/c1-3-10(13)12-7-4-5-9(15(2)14)8(11)6-7/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyNPPIQAGKANWRRM-UHFFFAOYSA-N
XLogP1.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)propanamide
CID 4285365
1-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-3-(4-hydroxyphenyl)urea
CID 99787019
N-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide
CID 124607454
N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-4-thiophen-2-ylbutanamide
CID 124607455
N-(4-cyano-3-fluorophenyl)propanamide
CID 130705875
3-(3-fluoro-4-methylsulfinylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111969782
N-(2,2-dimethylpropyl)-3-fluoro-4-[(S)-methylsulfinyl]aniline
CID 97236799
N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide
CID 61062106
1-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 99818198
1-benzyl-3-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-1-methoxyurea
CID 99715063
1-(3-fluoro-4-methylsulfinylphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 71865565
4-[(3-fluoro-4-methylsulfinylphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122085643

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylsulfinylphenyl)propanamide?
The IUPAC name of N-(3-fluoro-4-methylsulfinylphenyl)propanamide (CID 154749149) is N-(3-fluoro-4-methylsulfinylphenyl)propanamide.
What is the SMILES notation for N-(3-fluoro-4-methylsulfinylphenyl)propanamide?
The canonical SMILES for N-(3-fluoro-4-methylsulfinylphenyl)propanamide is CCC(=O)Nc1ccc(S(C)=O)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-methylsulfinylphenyl)propanamide?
The InChIKey is NPPIQAGKANWRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-3-10(13)12-7-4-5-9(15(2)14)8(11)6-7/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of N-(3-fluoro-4-methylsulfinylphenyl)propanamide?
N-(3-fluoro-4-methylsulfinylphenyl)propanamide has a molecular weight of 229.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylsulfinylphenyl)propanamide is sourced from PubChem (CID 154749149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).