N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3,3-bis(phenylsulfanyl)prop-2-enamide

C24H23N3OS2 — CID 41177636

IUPACN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3,3-bis(phenylsulfanyl)prop-2-enamide
SMILESCN(C)c1ccc(/C=N\NC(=O)C=C(Sc2ccccc2)Sc2ccccc2)cc1
InChIInChI=1S/C24H23N3OS2/c1-27(2)20-15-13-19(14-16-20)18-25-26-23(28)17-24(29-21-9-5-3-6-10-21)30-22-11-7-4-8-12-22/h3-18H,1-2H3,(H,26,28)/b25-18-
InChIKeyCLWZNOPENVGLKZ-BWAHOGKJSA-N
MW433.60 g/mol
LogP5.63
Rot. Bonds8

About N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3,3-bis(phenylsulfanyl)prop-2-enamide

N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3,3-bis(phenylsulfanyl)prop-2-enamide (PubChem CID 41177636) has the molecular formula C24H23N3OS2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3,3-bis(phenylsulfanyl)prop-2-enamide.

Molecular Properties

Compound NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3,3-bis(phenylsulfanyl)prop-2-enamide
PubChem CID41177636
Molecular FormulaC24H23N3OS2
Molecular Weight433.60 g/mol
Exact Mass433.13
IUPAC NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3,3-bis(phenylsulfanyl)prop-2-enamide
SMILESCN(C)c1ccc(/C=N\NC(=O)C=C(Sc2ccccc2)Sc2ccccc2)cc1
InChIInChI=1S/C24H23N3OS2/c1-27(2)20-15-13-19(14-16-20)18-25-26-23(28)17-24(29-21-9-5-3-6-10-21)30-22-11-7-4-8-12-22/h3-18H,1-2H3,(H,26,28)/b25-18-
InChIKeyCLWZNOPENVGLKZ-BWAHOGKJSA-N
XLogP5.63
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenylurea
CID 6875641
N-[(E)-(3-phenoxyphenyl)methylideneamino]-3,3-bis(phenylsulfanyl)prop-2-enamide
CID 17048539
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2,2-diphenylacetamide
CID 5499697
N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-methyloxamide
CID 4106726
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6868994
N-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide
CID 94847602
N-[[4-(dimethylamino)phenyl]methylideneamino]benzenesulfonamide
CID 872082
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxoprop-1-enyl]benzamide
CID 89119525
4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 6283870

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3,3-bis(phenylsulfanyl)prop-2-enamide?
The IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3,3-bis(phenylsulfanyl)prop-2-enamide (CID 41177636) is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3,3-bis(phenylsulfanyl)prop-2-enamide.
What is the SMILES notation for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3,3-bis(phenylsulfanyl)prop-2-enamide?
The canonical SMILES for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3,3-bis(phenylsulfanyl)prop-2-enamide is CN(C)c1ccc(/C=N\NC(=O)C=C(Sc2ccccc2)Sc2ccccc2)cc1.
What is the InChIKey of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3,3-bis(phenylsulfanyl)prop-2-enamide?
The InChIKey is CLWZNOPENVGLKZ-BWAHOGKJSA-N. The full InChI is InChI=1S/C24H23N3OS2/c1-27(2)20-15-13-19(14-16-20)18-25-26-23(28)17-24(29-21-9-5-3-6-10-21)30-22-11-7-4-8-12-22/h3-18H,1-2H3,(H,26,28)/b25-18-.
What are the key properties of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3,3-bis(phenylsulfanyl)prop-2-enamide?
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3,3-bis(phenylsulfanyl)prop-2-enamide has a molecular weight of 433.60 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3,3-bis(phenylsulfanyl)prop-2-enamide is sourced from PubChem (CID 41177636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).