N-(3,4-difluorophenyl)-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide

C22H19F3N2O4S — CID 30131515

IUPACN-(3,4-difluorophenyl)-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
SMILESCS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C22H19F3N2O4S/c1-32(29,30)27(13-15-4-2-3-5-19(15)23)17-7-9-18(10-8-17)31-14-22(28)26-16-6-11-20(24)21(25)12-16/h2-12H,13-14H2,1H3,(H,26,28)
InChIKeyNFPDAWXCVLQBFL-UHFFFAOYSA-N
MW464.47 g/mol
LogP4.09
Rot. Bonds8

About N-(3,4-difluorophenyl)-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide

N-(3,4-difluorophenyl)-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide (PubChem CID 30131515) has the molecular formula C22H19F3N2O4S and a molecular weight of 464.47 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
PubChem CID30131515
Molecular FormulaC22H19F3N2O4S
Molecular Weight464.47 g/mol
Exact Mass464.10
IUPAC NameN-(3,4-difluorophenyl)-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
SMILESCS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C22H19F3N2O4S/c1-32(29,30)27(13-15-4-2-3-5-19(15)23)17-7-9-18(10-8-17)31-14-22(28)26-16-6-11-20(24)21(25)12-16/h2-12H,13-14H2,1H3,(H,26,28)
InChIKeyNFPDAWXCVLQBFL-UHFFFAOYSA-N
XLogP4.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131058
N-benzyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131110
N-benzhydryl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131464
N-butyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131067
2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(1-phenylethyl)acetamide
CID 43888656
2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2R)-pentan-2-yl]acetamide
CID 30131416
2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 30131468
2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 30131113
2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30463949
N-(3-acetylphenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30130872
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129821
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-fluorophenyl)acetamide
CID 30129813

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide (CID 30131515) is N-(3,4-difluorophenyl)-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide is CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The InChIKey is NFPDAWXCVLQBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O4S/c1-32(29,30)27(13-15-4-2-3-5-19(15)23)17-7-9-18(10-8-17)31-14-22(28)26-16-6-11-20(24)21(25)12-16/h2-12H,13-14H2,1H3,(H,26,28).
What are the key properties of N-(3,4-difluorophenyl)-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
N-(3,4-difluorophenyl)-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide has a molecular weight of 464.47 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 30131515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).