2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide

C11H14FNO2S — CID 115678998

IUPAC2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide
SMILESCc1ccc(C(=O)NCCS(C)=O)c(F)c1
InChIInChI=1S/C11H14FNO2S/c1-8-3-4-9(10(12)7-8)11(14)13-5-6-16(2)15/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyQZYIKWFLSHWSSD-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.24
Rot. Bonds4

About 2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide

2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide (PubChem CID 115678998) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide
PubChem CID115678998
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide
SMILESCc1ccc(C(=O)NCCS(C)=O)c(F)c1
InChIInChI=1S/C11H14FNO2S/c1-8-3-4-9(10(12)7-8)11(14)13-5-6-16(2)15/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyQZYIKWFLSHWSSD-UHFFFAOYSA-N
XLogP1.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
N-(5-chloropentyl)-2-fluoro-4-methylbenzamide
CID 107320953
2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate
CID 83210328
2-fluoro-N-(5-iodopentyl)-4-methylbenzamide
CID 107322226
3-fluoro-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 115646483
2-fluoro-4-methyl-N-(5-methylhexyl)benzamide
CID 79790982
4-[(2-fluoro-4-methylbenzoyl)amino]-2,2-dimethylbutanoic acid
CID 114285479
2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 112696705
2,4-difluoro-N-(2-methylsulfinylethyl)-5-sulfamoylbenzamide
CID 113480656
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
CID 79776956
2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide
CID 82941071
2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62511184

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide?
The IUPAC name of 2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide (CID 115678998) is 2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide?
The canonical SMILES for 2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide is Cc1ccc(C(=O)NCCS(C)=O)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide?
The InChIKey is QZYIKWFLSHWSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-8-3-4-9(10(12)7-8)11(14)13-5-6-16(2)15/h3-4,7H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide?
2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide has a molecular weight of 243.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide is sourced from PubChem (CID 115678998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).