N-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C20H23N3O4S — CID 42991439

IUPACN-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N/N=C/c1ccccc1
InChIInChI=1S/C20H23N3O4S/c24-20(22-21-16-18-4-2-1-3-5-18)11-8-17-6-9-19(10-7-17)28(25,26)23-12-14-27-15-13-23/h1-7,9-10,16H,8,11-15H2,(H,22,24)/b21-16+
InChIKeyUEWCKLHQMPAVRK-LTGZKZEYSA-N
MW401.49 g/mol
LogP1.79
Rot. Bonds7

About N-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 42991439) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID42991439
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N/N=C/c1ccccc1
InChIInChI=1S/C20H23N3O4S/c24-20(22-21-16-18-4-2-1-3-5-18)11-8-17-6-9-19(10-7-17)28(25,26)23-12-14-27-15-13-23/h1-7,9-10,16H,8,11-15H2,(H,22,24)/b21-16+
InChIKeyUEWCKLHQMPAVRK-LTGZKZEYSA-N
XLogP1.79
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2351057
N-[(3,4-dichlorophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2642036
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(E)-(2-nitrophenyl)methylideneamino]propanamide
CID 42991453
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]propanamide
CID 42991437
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42991463
N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 42991466
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide
CID 6219763
N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 119422735
N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26536910
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-4-phenylbutanamide
CID 55704601

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 42991439) is N-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N/N=C/c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is UEWCKLHQMPAVRK-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c24-20(22-21-16-18-4-2-1-3-5-18)11-8-17-6-9-19(10-7-17)28(25,26)23-12-14-27-15-13-23/h1-7,9-10,16H,8,11-15H2,(H,22,24)/b21-16+.
What are the key properties of N-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 401.49 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 42991439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).