N-(3-chloro-4-cyanophenyl)-2-(4-methylsulfonylphenoxy)propanamide

C17H15ClN2O4S — CID 51236662

IUPACN-(3-chloro-4-cyanophenyl)-2-(4-methylsulfonylphenoxy)propanamide
SMILESCC(Oc1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C17H15ClN2O4S/c1-11(24-14-5-7-15(8-6-14)25(2,22)23)17(21)20-13-4-3-12(10-19)16(18)9-13/h3-9,11H,1-2H3,(H,20,21)
InChIKeyJSHDPZNNUPRXRN-UHFFFAOYSA-N
MW378.84 g/mol
LogP3.02
Rot. Bonds5

About N-(3-chloro-4-cyanophenyl)-2-(4-methylsulfonylphenoxy)propanamide

N-(3-chloro-4-cyanophenyl)-2-(4-methylsulfonylphenoxy)propanamide (PubChem CID 51236662) has the molecular formula C17H15ClN2O4S and a molecular weight of 378.84 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(4-methylsulfonylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(4-methylsulfonylphenoxy)propanamide
PubChem CID51236662
Molecular FormulaC17H15ClN2O4S
Molecular Weight378.84 g/mol
Exact Mass378.04
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(4-methylsulfonylphenoxy)propanamide
SMILESCC(Oc1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C17H15ClN2O4S/c1-11(24-14-5-7-15(8-6-14)25(2,22)23)17(21)20-13-4-3-12(10-19)16(18)9-13/h3-9,11H,1-2H3,(H,20,21)
InChIKeyJSHDPZNNUPRXRN-UHFFFAOYSA-N
XLogP3.02
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate
CID 46622117
[(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8856691
(2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide
CID 9072191
N-(2-chlorophenyl)-2-(4-methylsulfonylphenoxy)propanamide
CID 51236628
N-[2-chloro-4-[2-(4-methylphenoxy)propanoylamino]phenyl]-3-methylsulfonylbenzamide
CID 24667792
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-cyanophenoxy)propanamide
CID 42902010
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833499
(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7433052
[1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methoxybenzoate
CID 55418301
2-O-[1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 46624279
2-(4-cyanophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 16548273
(2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide
CID 40721189

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(4-methylsulfonylphenoxy)propanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(4-methylsulfonylphenoxy)propanamide (CID 51236662) is N-(3-chloro-4-cyanophenyl)-2-(4-methylsulfonylphenoxy)propanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(4-methylsulfonylphenoxy)propanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(4-methylsulfonylphenoxy)propanamide is CC(Oc1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(4-methylsulfonylphenoxy)propanamide?
The InChIKey is JSHDPZNNUPRXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4S/c1-11(24-14-5-7-15(8-6-14)25(2,22)23)17(21)20-13-4-3-12(10-19)16(18)9-13/h3-9,11H,1-2H3,(H,20,21).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(4-methylsulfonylphenoxy)propanamide?
N-(3-chloro-4-cyanophenyl)-2-(4-methylsulfonylphenoxy)propanamide has a molecular weight of 378.84 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(4-methylsulfonylphenoxy)propanamide is sourced from PubChem (CID 51236662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).