N-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide

C17H18F2N2O4S — CID 133184624

IUPACN-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESCC(Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2O4S/c1-11(17(22)20-12-4-9-15(18)16(19)10-12)25-14-7-5-13(6-8-14)21(2)26(3,23)24/h4-11H,1-3H3,(H,20,22)
InChIKeyJJKPQVCLLCYHHM-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.77
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide

N-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (PubChem CID 133184624) has the molecular formula C17H18F2N2O4S and a molecular weight of 384.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
PubChem CID133184624
Molecular FormulaC17H18F2N2O4S
Molecular Weight384.40 g/mol
Exact Mass384.10
IUPAC NameN-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESCC(Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2O4S/c1-11(17(22)20-12-4-9-15(18)16(19)10-12)25-14-7-5-13(6-8-14)21(2)26(3,23)24/h4-11H,1-3H3,(H,20,22)
InChIKeyJJKPQVCLLCYHHM-UHFFFAOYSA-N
XLogP2.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3,4-dimethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100576280
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100670859
N-(3,4-difluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide
CID 45354860
N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133184535
N-(3-methoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133200135
N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 56923083
dimethyl 5-[2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanoylamino]benzene-1,3-dicarboxylate
CID 133186767
(2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide
CID 670052
(2R)-N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100553732
N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133234650
N-(5-chloro-2-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133162812
(2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100562241

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (CID 133184624) is N-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is CC(Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The InChIKey is JJKPQVCLLCYHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4S/c1-11(17(22)20-12-4-9-15(18)16(19)10-12)25-14-7-5-13(6-8-14)21(2)26(3,23)24/h4-11H,1-3H3,(H,20,22).
What are the key properties of N-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
N-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide has a molecular weight of 384.40 g/mol, XLogP of 2.77, 6 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-[methyl(methylsulfonyl)amino]phenoxy]propanamide is sourced from PubChem (CID 133184624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).