N-[bis[4-(dimethylamino)phenyl]methylidene]-4-(dimethylsulfamoyl)benzamide

C26H30N4O3S — CID 5142143

IUPACN-[bis[4-(dimethylamino)phenyl]methylidene]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)c1ccc(C(=NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C26H30N4O3S/c1-28(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)29(3)4)27-26(31)21-11-17-24(18-12-21)34(32,33)30(5)6/h7-18H,1-6H3
InChIKeyGYWDSRFOXKXFDZ-UHFFFAOYSA-N
MW478.62 g/mol
LogP3.75
Rot. Bonds7

About N-[bis[4-(dimethylamino)phenyl]methylidene]-4-(dimethylsulfamoyl)benzamide

N-[bis[4-(dimethylamino)phenyl]methylidene]-4-(dimethylsulfamoyl)benzamide (PubChem CID 5142143) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-[bis[4-(dimethylamino)phenyl]methylidene]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[bis[4-(dimethylamino)phenyl]methylidene]-4-(dimethylsulfamoyl)benzamide
PubChem CID5142143
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC NameN-[bis[4-(dimethylamino)phenyl]methylidene]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)c1ccc(C(=NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C26H30N4O3S/c1-28(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)29(3)4)27-26(31)21-11-17-24(18-12-21)34(32,33)30(5)6/h7-18H,1-6H3
InChIKeyGYWDSRFOXKXFDZ-UHFFFAOYSA-N
XLogP3.75
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
N,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide
CID 7760850
4-acetylbenzenesulfonyl chloride;4-acetyl-N,N-dimethylbenzenesulfonamide
CID 87987593
CID 69397190
CID 69397190
4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide
CID 60655214
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
1-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-3-phenylurea
CID 9242121
4-(dimethylamino)-N,N-diethylbenzenesulfonamide
CID 11043368
N,N-dimethyl-4-(4-methyl-3-oxopentanoyl)benzenesulfonamide
CID 63319990
lithium 4-(dimethylamino)benzenesulfonate
CID 59248340
4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide
CID 24525671
N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 110356126

Frequently Asked Questions

What is the IUPAC name of N-[bis[4-(dimethylamino)phenyl]methylidene]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[bis[4-(dimethylamino)phenyl]methylidene]-4-(dimethylsulfamoyl)benzamide (CID 5142143) is N-[bis[4-(dimethylamino)phenyl]methylidene]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[bis[4-(dimethylamino)phenyl]methylidene]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[bis[4-(dimethylamino)phenyl]methylidene]-4-(dimethylsulfamoyl)benzamide is CN(C)c1ccc(C(=NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[bis[4-(dimethylamino)phenyl]methylidene]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is GYWDSRFOXKXFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-28(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)29(3)4)27-26(31)21-11-17-24(18-12-21)34(32,33)30(5)6/h7-18H,1-6H3.
What are the key properties of N-[bis[4-(dimethylamino)phenyl]methylidene]-4-(dimethylsulfamoyl)benzamide?
N-[bis[4-(dimethylamino)phenyl]methylidene]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 478.62 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis[4-(dimethylamino)phenyl]methylidene]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 5142143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).