N-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide

C21H19ClN2O3S — CID 71285892

IUPACN-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Cl)c(-c3ccncc3)c2)cc1
InChIInChI=1S/C21H19ClN2O3S/c1-2-28(26,27)18-6-3-15(4-7-18)13-21(25)24-17-5-8-20(22)19(14-17)16-9-11-23-12-10-16/h3-12,14H,2,13H2,1H3,(H,24,25)
InChIKeyAOOGYSOGXIZAII-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.38
Rot. Bonds6

About N-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide

N-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 71285892) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID71285892
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC NameN-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Cl)c(-c3ccncc3)c2)cc1
InChIInChI=1S/C21H19ClN2O3S/c1-2-28(26,27)18-6-3-15(4-7-18)13-21(25)24-17-5-8-20(22)19(14-17)16-9-11-23-12-10-16/h3-12,14H,2,13H2,1H3,(H,24,25)
InChIKeyAOOGYSOGXIZAII-UHFFFAOYSA-N
XLogP4.38
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(1-methylpyrazol-4-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71289968
N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71284005
N-(4-benzoyl-3-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 71285888
N-[3-chloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 122622702
2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide
CID 110778659
N-[4-(2-butoxyphenyl)-3-chlorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71289987
N-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 72545950
2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
CID 18587060
2-chlorobicyclo[3.1.0]hexa-1,3,5-triene;1-ethyl-4-ethylsulfonylbenzene
CID 174362498
N-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 2471941
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 18587054
2-(4-ethylsulfonylphenyl)-N-[4-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)phenyl]acetamide
CID 71289984

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide (CID 71285892) is N-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Cl)c(-c3ccncc3)c2)cc1.
What is the InChIKey of N-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is AOOGYSOGXIZAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-2-28(26,27)18-6-3-15(4-7-18)13-21(25)24-17-5-8-20(22)19(14-17)16-9-11-23-12-10-16/h3-12,14H,2,13H2,1H3,(H,24,25).
What are the key properties of N-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide?
N-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 414.91 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 71285892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).