2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide

C21H23N3O5S — CID 16545878

IUPAC2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H23N3O5S/c1-15-3-6-18(13-20(15)30(26,27)24-9-11-28-12-10-24)23-21(25)16(2)29-19-7-4-17(14-22)5-8-19/h3-8,13,16H,9-12H2,1-2H3,(H,23,25)
InChIKeyALZZXGHWSYZVHA-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.29
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide

2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 16545878) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID16545878
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H23N3O5S/c1-15-3-6-18(13-20(15)30(26,27)24-9-11-28-12-10-24)23-21(25)16(2)29-19-7-4-17(14-22)5-8-19/h3-8,13,16H,9-12H2,1-2H3,(H,23,25)
InChIKeyALZZXGHWSYZVHA-UHFFFAOYSA-N
XLogP2.29
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)propanamide
CID 7689037
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-phenoxypropanamide
CID 43009352
(2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide
CID 7892595
(2R)-2-(4-cyanophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7503277
(2S)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-phenoxypropanamide
CID 7917142
2-[(4-cyanophenyl)methylsulfonyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 46489210
cis-[(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 11921071
(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide
CID 26521362
(2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
CID 9243660
4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile
CID 27056917
2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2983188
(2S)-2-(4-cyanophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9414961

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide (CID 16545878) is 2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide is Cc1ccc(NC(=O)C(C)Oc2ccc(C#N)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is ALZZXGHWSYZVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-15-3-6-18(13-20(15)30(26,27)24-9-11-28-12-10-24)23-21(25)16(2)29-19-7-4-17(14-22)5-8-19/h3-8,13,16H,9-12H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 429.50 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 16545878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).