2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-cyanophenyl)propanamide

C23H20ClN3O4S — CID 4782661

IUPAC2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-cyanophenyl)propanamide
SMILESCC(Oc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C23H20ClN3O4S/c1-16(23(28)26-19-5-3-4-17(14-19)15-25)31-21-10-8-20(9-11-21)27(2)32(29,30)22-12-6-18(24)7-13-22/h3-14,16H,1-2H3,(H,26,28)
InChIKeyAFYPXTOIEWCSDF-UHFFFAOYSA-N
MW469.95 g/mol
LogP4.44
Rot. Bonds7

About 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-cyanophenyl)propanamide

2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-cyanophenyl)propanamide (PubChem CID 4782661) has the molecular formula C23H20ClN3O4S and a molecular weight of 469.95 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-cyanophenyl)propanamide
PubChem CID4782661
Molecular FormulaC23H20ClN3O4S
Molecular Weight469.95 g/mol
Exact Mass469.09
IUPAC Name2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-cyanophenyl)propanamide
SMILESCC(Oc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C23H20ClN3O4S/c1-16(23(28)26-19-5-3-4-17(14-19)15-25)31-21-10-8-20(9-11-21)27(2)32(29,30)22-12-6-18(24)7-13-22/h3-14,16H,1-2H3,(H,26,28)
InChIKeyAFYPXTOIEWCSDF-UHFFFAOYSA-N
XLogP4.44
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyanophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 16546882
(2R)-2-(4-cyanophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 7818704
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
2-(3-chlorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 16546883
2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide
CID 17450699
(2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide
CID 9072191
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 8579892
N-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 2332931
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797230
(2R)-N-(3-cyanophenyl)-2-(3-iodophenoxy)propanamide
CID 7694555
(2R)-N-(3-cyanophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
CID 7950503
N-(3-cyanophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787848

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-cyanophenyl)propanamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-cyanophenyl)propanamide (CID 4782661) is 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-cyanophenyl)propanamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-cyanophenyl)propanamide is CC(Oc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-cyanophenyl)propanamide?
The InChIKey is AFYPXTOIEWCSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4S/c1-16(23(28)26-19-5-3-4-17(14-19)15-25)31-21-10-8-20(9-11-21)27(2)32(29,30)22-12-6-18(24)7-13-22/h3-14,16H,1-2H3,(H,26,28).
What are the key properties of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-cyanophenyl)propanamide?
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-cyanophenyl)propanamide has a molecular weight of 469.95 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 4782661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).