N-benzyl-N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline

C22H23N3OS — CID 3720631

IUPACN-benzyl-N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline
SMILESC(=NN(Cc1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)s1
InChIInChI=1S/C22H23N3OS/c1-3-7-19(8-4-1)18-25(20-9-5-2-6-10-20)23-17-21-11-12-22(27-21)24-13-15-26-16-14-24/h1-12,17H,13-16,18H2
InChIKeyBMPMKBMBNYGMHX-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.63
Rot. Bonds6

About N-benzyl-N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline

N-benzyl-N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline (PubChem CID 3720631) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is N-benzyl-N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN-benzyl-N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline
PubChem CID3720631
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC NameN-benzyl-N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline
SMILESC(=NN(Cc1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)s1
InChIInChI=1S/C22H23N3OS/c1-3-7-19(8-4-1)18-25(20-9-5-2-6-10-20)23-17-21-11-12-22(27-21)24-13-15-26-16-14-24/h1-12,17H,13-16,18H2
InChIKeyBMPMKBMBNYGMHX-UHFFFAOYSA-N
XLogP4.63
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.63
H-Bond Donors ≤ 50
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

(Z)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]fluoren-9-imine
CID 8980480
4-(5-morpholin-4-ylthiophen-2-yl)morpholine
CID 121007846
N-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline
CID 6268194
N-benzyl-N-[(4-phenylphenyl)methylideneamino]aniline
CID 3486840
2-methyl-3-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]quinazolin-4-one
CID 6908048
N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine
CID 4047872
2-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 9359836
3-chloro-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline
CID 6302768
(3E)-3-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylidenehydrazinylidene]-1-propylindol-2-one
CID 9460537
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
CID 9121478
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
CID 9121609
3-hydroxy-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
CID 6911488

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline?
The IUPAC name of N-benzyl-N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline (CID 3720631) is N-benzyl-N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline.
What is the SMILES notation for N-benzyl-N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline?
The canonical SMILES for N-benzyl-N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline is C(=NN(Cc1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)s1.
What is the InChIKey of N-benzyl-N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline?
The InChIKey is BMPMKBMBNYGMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-3-7-19(8-4-1)18-25(20-9-5-2-6-10-20)23-17-21-11-12-22(27-21)24-13-15-26-16-14-24/h1-12,17H,13-16,18H2.
What are the key properties of N-benzyl-N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline?
N-benzyl-N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline has a molecular weight of 377.51 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]aniline is sourced from PubChem (CID 3720631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).