N-[1-(2-ethylphenyl)-4-(2-fluorophenyl)-3-oxobutyl]methanesulfonamide

C19H22FNO3S — CID 158097545

IUPACN-[1-(2-ethylphenyl)-4-(2-fluorophenyl)-3-oxobutyl]methanesulfonamide
SMILESCCc1ccccc1C(CC(=O)Cc1ccccc1F)NS(C)(=O)=O
InChIInChI=1S/C19H22FNO3S/c1-3-14-8-4-6-10-17(14)19(21-25(2,23)24)13-16(22)12-15-9-5-7-11-18(15)20/h4-11,19,21H,3,12-13H2,1-2H3
InChIKeyYKSYBDUKWBJDLY-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.18
Rot. Bonds8

About N-[1-(2-ethylphenyl)-4-(2-fluorophenyl)-3-oxobutyl]methanesulfonamide

N-[1-(2-ethylphenyl)-4-(2-fluorophenyl)-3-oxobutyl]methanesulfonamide (PubChem CID 158097545) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[1-(2-ethylphenyl)-4-(2-fluorophenyl)-3-oxobutyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-ethylphenyl)-4-(2-fluorophenyl)-3-oxobutyl]methanesulfonamide
PubChem CID158097545
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC NameN-[1-(2-ethylphenyl)-4-(2-fluorophenyl)-3-oxobutyl]methanesulfonamide
SMILESCCc1ccccc1C(CC(=O)Cc1ccccc1F)NS(C)(=O)=O
InChIInChI=1S/C19H22FNO3S/c1-3-14-8-4-6-10-17(14)19(21-25(2,23)24)13-16(22)12-15-9-5-7-11-18(15)20/h4-11,19,21H,3,12-13H2,1-2H3
InChIKeyYKSYBDUKWBJDLY-UHFFFAOYSA-N
XLogP3.18
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylphenyl)-4-(2-fluorophenyl)-3-oxobutyl]methanesulfonamide?
The IUPAC name of N-[1-(2-ethylphenyl)-4-(2-fluorophenyl)-3-oxobutyl]methanesulfonamide (CID 158097545) is N-[1-(2-ethylphenyl)-4-(2-fluorophenyl)-3-oxobutyl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-ethylphenyl)-4-(2-fluorophenyl)-3-oxobutyl]methanesulfonamide?
The canonical SMILES for N-[1-(2-ethylphenyl)-4-(2-fluorophenyl)-3-oxobutyl]methanesulfonamide is CCc1ccccc1C(CC(=O)Cc1ccccc1F)NS(C)(=O)=O.
What is the InChIKey of N-[1-(2-ethylphenyl)-4-(2-fluorophenyl)-3-oxobutyl]methanesulfonamide?
The InChIKey is YKSYBDUKWBJDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-3-14-8-4-6-10-17(14)19(21-25(2,23)24)13-16(22)12-15-9-5-7-11-18(15)20/h4-11,19,21H,3,12-13H2,1-2H3.
What are the key properties of N-[1-(2-ethylphenyl)-4-(2-fluorophenyl)-3-oxobutyl]methanesulfonamide?
N-[1-(2-ethylphenyl)-4-(2-fluorophenyl)-3-oxobutyl]methanesulfonamide has a molecular weight of 363.45 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylphenyl)-4-(2-fluorophenyl)-3-oxobutyl]methanesulfonamide is sourced from PubChem (CID 158097545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).