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

C20H18F2N2O4S2 — CID 45354860

IUPACN-(3,4-difluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide
SMILESCC(Oc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H18F2N2O4S2/c1-13(20(25)23-14-5-10-17(21)18(22)12-14)28-16-8-6-15(7-9-16)24(2)30(26,27)19-4-3-11-29-19/h3-13H,1-2H3,(H,23,25)
InChIKeyVSLAZNJUFYXDGB-UHFFFAOYSA-N
MW452.50 g/mol
LogP4.26
Rot. Bonds7

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

N-(3,4-difluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide (PubChem CID 45354860) has the molecular formula C20H18F2N2O4S2 and a molecular weight of 452.50 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide
PubChem CID45354860
Molecular FormulaC20H18F2N2O4S2
Molecular Weight452.50 g/mol
Exact Mass452.07
IUPAC NameN-(3,4-difluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide
SMILESCC(Oc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H18F2N2O4S2/c1-13(20(25)23-14-5-10-17(21)18(22)12-14)28-16-8-6-15(7-9-16)24(2)30(26,27)19-4-3-11-29-19/h3-13H,1-2H3,(H,23,25)
InChIKeyVSLAZNJUFYXDGB-UHFFFAOYSA-N
XLogP4.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide
CID 26563710
N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide
CID 45352930
N-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133184624
(2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide
CID 670052
[1-(3-methylanilino)-1-oxopropan-2-yl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982354
N-(4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16547796
N-(3-methoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133200135
(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
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-cyanophenyl)propanamide
CID 4782661
2-(3,4-difluorophenoxy)-N-phenylpropanamide
CID 42982598
N-[4-(dimethylamino)-3,5-difluorophenyl]-2-(4-methoxyphenoxy)propanamide
CID 55908461

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide (CID 45354860) is N-(3,4-difluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide is CC(Oc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide?
The InChIKey is VSLAZNJUFYXDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4S2/c1-13(20(25)23-14-5-10-17(21)18(22)12-14)28-16-8-6-15(7-9-16)24(2)30(26,27)19-4-3-11-29-19/h3-13H,1-2H3,(H,23,25).
What are the key properties of N-(3,4-difluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide?
N-(3,4-difluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide has a molecular weight of 452.50 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide is sourced from PubChem (CID 45354860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).