N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide

C23H25N3O3S — CID 6158019

IUPACN-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C\C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H25N3O3S/c27-30(28,22-9-5-2-6-10-22)25-24-18-21-12-11-20(17-19-7-3-1-4-8-19)23(21)26-13-15-29-16-14-26/h1-10,17-18,25H,11-16H2/b20-17+,24-18-
InChIKeyWUYGGPZAZLALNW-ALLOTSGKSA-N
MW423.54 g/mol
LogP3.41
Rot. Bonds6

About N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide

N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide (PubChem CID 6158019) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide
PubChem CID6158019
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C\C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H25N3O3S/c27-30(28,22-9-5-2-6-10-22)25-24-18-21-12-11-20(17-19-7-3-1-4-8-19)23(21)26-13-15-29-16-14-26/h1-10,17-18,25H,11-16H2/b20-17+,24-18-
InChIKeyWUYGGPZAZLALNW-ALLOTSGKSA-N
XLogP3.41
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_enamin(30)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine
CID 4829730
N-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-2-bromobenzamide
CID 6899054
1-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-3-phenylthiourea
CID 7041326
3-[(2Z)-2-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135820831
N-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883664
N-(4-benzhydrylpiperazin-1-yl)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methanimine
CID 84583005
N-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 131674302
1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-(3-nitrophenyl)methanimine
CID 23938920
(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde
CID 2322917
N-[(E)-[(3E)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 6905178
N,N-diethyl-4-[(3-methanehydrazonoyl-2-morpholin-4-ylcyclopent-2-en-1-ylidene)methyl]aniline
CID 3725515
N-[3-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclohexen-1-yl]-4-hydroxyphenyl]-4-methylbenzenesulfonamide
CID 25047452

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide (CID 6158019) is N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide is O=S(=O)(N/N=C\C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide?
The InChIKey is WUYGGPZAZLALNW-ALLOTSGKSA-N. The full InChI is InChI=1S/C23H25N3O3S/c27-30(28,22-9-5-2-6-10-22)25-24-18-21-12-11-20(17-19-7-3-1-4-8-19)23(21)26-13-15-29-16-14-26/h1-10,17-18,25H,11-16H2/b20-17+,24-18-.
What are the key properties of N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide?
N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide has a molecular weight of 423.54 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 6158019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).