(2R)-N-(2-cyanophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide

C20H21N3O5S — CID 7612928

IUPAC(2R)-N-(2-cyanophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
SMILESC[C@@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C20H21N3O5S/c1-15(20(24)22-19-5-3-2-4-16(19)14-21)28-17-6-8-18(9-7-17)29(25,26)23-10-12-27-13-11-23/h2-9,15H,10-13H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyAYSYNJZAVDIANN-OAHLLOKOSA-N
MW415.47 g/mol
LogP1.99
Rot. Bonds6

About (2R)-N-(2-cyanophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide

(2R)-N-(2-cyanophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide (PubChem CID 7612928) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is (2R)-N-(2-cyanophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyanophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
PubChem CID7612928
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name(2R)-N-(2-cyanophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
SMILESC[C@@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C20H21N3O5S/c1-15(20(24)22-19-5-3-2-4-16(19)14-21)28-17-6-8-18(9-7-17)29(25,26)23-10-12-27-13-11-23/h2-9,15H,10-13H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyAYSYNJZAVDIANN-OAHLLOKOSA-N
XLogP1.99
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate
CID 55313585
2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2983188
2-(4-fluorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 3153549
2-(2-cyanophenoxy)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]propanamide
CID 55597453
(2S)-N-(3-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 7612920
(2S)-N-carbamoyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 9332160
(2S)-N-cyclopropyl-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 41094222
N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide
CID 4951222
methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate
CID 9331081
[1-(2-cyanoanilino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 42973039
2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]propanamide
CID 42909152
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide
CID 133234857

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyanophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide?
The IUPAC name of (2R)-N-(2-cyanophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide (CID 7612928) is (2R)-N-(2-cyanophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2-cyanophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(2-cyanophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide is C[C@@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)Nc1ccccc1C#N.
What is the InChIKey of (2R)-N-(2-cyanophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide?
The InChIKey is AYSYNJZAVDIANN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-15(20(24)22-19-5-3-2-4-16(19)14-21)28-17-6-8-18(9-7-17)29(25,26)23-10-12-27-13-11-23/h2-9,15H,10-13H2,1H3,(H,22,24)/t15-/m1/s1.
What are the key properties of (2R)-N-(2-cyanophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide?
(2R)-N-(2-cyanophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide has a molecular weight of 415.47 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyanophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide is sourced from PubChem (CID 7612928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).