(2S)-2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide

C19H21N3O4S — CID 51915891

IUPAC(2S)-2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Oc1ccccc1C#N
InChIInChI=1S/C19H21N3O4S/c1-13-9-10-16(27(24,25)22(3)4)11-17(13)21-19(23)14(2)26-18-8-6-5-7-15(18)12-20/h5-11,14H,1-4H3,(H,21,23)/t14-/m0/s1
InChIKeyPWFJMOLFEXSNDC-AWEZNQCLSA-N
MW387.46 g/mol
LogP2.52
Rot. Bonds6

About (2S)-2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide

(2S)-2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide (PubChem CID 51915891) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is (2S)-2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
PubChem CID51915891
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name(2S)-2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Oc1ccccc1C#N
InChIInChI=1S/C19H21N3O4S/c1-13-9-10-16(27(24,25)22(3)4)11-17(13)21-19(23)14(2)26-18-8-6-5-7-15(18)12-20/h5-11,14H,1-4H3,(H,21,23)/t14-/m0/s1
InChIKeyPWFJMOLFEXSNDC-AWEZNQCLSA-N
XLogP2.52
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 55597385
2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 7382540
2-(4-bromo-2-chlorophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 16528143
[(2S)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 4-nitrobenzoate
CID 41293152
(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279
(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 2505724
(2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7382527
(2R)-2-(2-cyanophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2565716
2-(2-cyanophenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 60528472
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
CID 60638627
(2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 99951167
(2R)-2-(2-cyanophenoxy)-N-(4-methoxy-3-methylphenyl)sulfonylpropanamide
CID 95176209

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
The IUPAC name of (2S)-2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide (CID 51915891) is (2S)-2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide.
What is the SMILES notation for (2S)-2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
The canonical SMILES for (2S)-2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Oc1ccccc1C#N.
What is the InChIKey of (2S)-2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
The InChIKey is PWFJMOLFEXSNDC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-13-9-10-16(27(24,25)22(3)4)11-17(13)21-19(23)14(2)26-18-8-6-5-7-15(18)12-20/h5-11,14H,1-4H3,(H,21,23)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide?
(2S)-2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide has a molecular weight of 387.46 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide is sourced from PubChem (CID 51915891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).