N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(4-methoxyphenyl)methanesulfonamide

C23H22FNO4S — CID 167570002

IUPACN-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(CS(=O)(=O)NCC(=O)c2cc(-c3ccccc3)cc(C)c2F)cc1
InChIInChI=1S/C23H22FNO4S/c1-16-12-19(18-6-4-3-5-7-18)13-21(23(16)24)22(26)14-25-30(27,28)15-17-8-10-20(29-2)11-9-17/h3-13,25H,14-15H2,1-2H3
InChIKeyQZOYXFLLFCOCBC-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.11
Rot. Bonds8

About N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(4-methoxyphenyl)methanesulfonamide

N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(4-methoxyphenyl)methanesulfonamide (PubChem CID 167570002) has the molecular formula C23H22FNO4S and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(4-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(4-methoxyphenyl)methanesulfonamide
PubChem CID167570002
Molecular FormulaC23H22FNO4S
Molecular Weight427.50 g/mol
Exact Mass427.13
IUPAC NameN-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(CS(=O)(=O)NCC(=O)c2cc(-c3ccccc3)cc(C)c2F)cc1
InChIInChI=1S/C23H22FNO4S/c1-16-12-19(18-6-4-3-5-7-18)13-21(23(16)24)22(26)14-25-30(27,28)15-17-8-10-20(29-2)11-9-17/h3-13,25H,14-15H2,1-2H3
InChIKeyQZOYXFLLFCOCBC-UHFFFAOYSA-N
XLogP4.11
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(4-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(4-methoxyphenyl)methanesulfonamide (CID 167570002) is N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(4-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(4-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(4-methoxyphenyl)methanesulfonamide is COc1ccc(CS(=O)(=O)NCC(=O)c2cc(-c3ccccc3)cc(C)c2F)cc1.
What is the InChIKey of N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(4-methoxyphenyl)methanesulfonamide?
The InChIKey is QZOYXFLLFCOCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO4S/c1-16-12-19(18-6-4-3-5-7-18)13-21(23(16)24)22(26)14-25-30(27,28)15-17-8-10-20(29-2)11-9-17/h3-13,25H,14-15H2,1-2H3.
What are the key properties of N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(4-methoxyphenyl)methanesulfonamide?
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(4-methoxyphenyl)methanesulfonamide has a molecular weight of 427.50 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(4-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 167570002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).