(2R)-N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide

C20H18ClFN2O4S2 — CID 26563710

IUPAC(2R)-N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide
SMILESC[C@@H](Oc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H18ClFN2O4S2/c1-13(20(25)23-14-5-10-18(22)17(21)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)/t13-/m1/s1
InChIKeyQZBZTGWJAQMOMX-CYBMUJFWSA-N
MW468.96 g/mol
LogP4.77
Rot. Bonds7

About (2R)-N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide

(2R)-N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide (PubChem CID 26563710) has the molecular formula C20H18ClFN2O4S2 and a molecular weight of 468.96 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide
PubChem CID26563710
Molecular FormulaC20H18ClFN2O4S2
Molecular Weight468.96 g/mol
Exact Mass468.04
IUPAC Name(2R)-N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide
SMILESC[C@@H](Oc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H18ClFN2O4S2/c1-13(20(25)23-14-5-10-18(22)17(21)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)/t13-/m1/s1
InChIKeyQZBZTGWJAQMOMX-CYBMUJFWSA-N
XLogP4.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.96
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide
CID 45352930
N-(3,4-difluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide
CID 45354860
2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 24511691
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578068
N-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133184624
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 8579892
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100670859
N-(3-chloro-4-fluorophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953359
[1-(3-methylanilino)-1-oxopropan-2-yl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982354
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3-chlorophenyl)propanamide
CID 7751006
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-cyanophenyl)propanamide
CID 4782661
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7751009

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide?
The IUPAC name of (2R)-N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide (CID 26563710) is (2R)-N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide?
The canonical SMILES for (2R)-N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide is C[C@@H](Oc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of (2R)-N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide?
The InChIKey is QZBZTGWJAQMOMX-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18ClFN2O4S2/c1-13(20(25)23-14-5-10-18(22)17(21)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)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide?
(2R)-N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide has a molecular weight of 468.96 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide is sourced from PubChem (CID 26563710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).