2-(benzenesulfonamido)-N,N-dibenzyl-N'-ethenylprop-2-enimidamide

C25H25N3O2S — CID 170406769

IUPAC2-(benzenesulfonamido)-N,N-dibenzyl-N'-ethenylprop-2-enimidamide
SMILESC=C/N=C(/C(=C)NS(=O)(=O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H25N3O2S/c1-3-26-25(21(2)27-31(29,30)24-17-11-6-12-18-24)28(19-22-13-7-4-8-14-22)20-23-15-9-5-10-16-23/h3-18,27H,1-2,19-20H2/b26-25-
InChIKeyPXPMPUKWTWOWFW-QPLCGJKRSA-N
MW431.56 g/mol
LogP4.72
Rot. Bonds9

About 2-(benzenesulfonamido)-N,N-dibenzyl-N'-ethenylprop-2-enimidamide

2-(benzenesulfonamido)-N,N-dibenzyl-N'-ethenylprop-2-enimidamide (PubChem CID 170406769) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N,N-dibenzyl-N'-ethenylprop-2-enimidamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N,N-dibenzyl-N'-ethenylprop-2-enimidamide
PubChem CID170406769
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC Name2-(benzenesulfonamido)-N,N-dibenzyl-N'-ethenylprop-2-enimidamide
SMILESC=C/N=C(/C(=C)NS(=O)(=O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H25N3O2S/c1-3-26-25(21(2)27-31(29,30)24-17-11-6-12-18-24)28(19-22-13-7-4-8-14-22)20-23-15-9-5-10-16-23/h3-18,27H,1-2,19-20H2/b26-25-
InChIKeyPXPMPUKWTWOWFW-QPLCGJKRSA-N
XLogP4.72
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dibenzyl-N'-ethenyl-2-(methylamino)prop-2-enimidamide
CID 146644167
(2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide
CID 41330771
CID 101349022
CID 101349022
N-[(3E)-hexa-1,3,5-trien-3-yl]benzenesulfonamide
CID 142835485
N-benzyl-N-[2-[benzyl(buta-1,3-dien-2-yl)amino]ethyl]prop-2-enamide
CID 135129741
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
CID 101349021
CID 101349021
N-(benzenesulfonyl)-2-methylprop-2-enamide
CID 15084877
N,N-dibenzylbut-3-enamide
CID 134848345
N-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]but-3-enyl]formamide
CID 134849487
N-benzyl-N-hydroxybenzenesulfonamide
CID 71955991
2-(benzenesulfonyl)-N,N-dibenzylpropanamide
CID 112779733

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N,N-dibenzyl-N'-ethenylprop-2-enimidamide?
The IUPAC name of 2-(benzenesulfonamido)-N,N-dibenzyl-N'-ethenylprop-2-enimidamide (CID 170406769) is 2-(benzenesulfonamido)-N,N-dibenzyl-N'-ethenylprop-2-enimidamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N,N-dibenzyl-N'-ethenylprop-2-enimidamide?
The canonical SMILES for 2-(benzenesulfonamido)-N,N-dibenzyl-N'-ethenylprop-2-enimidamide is C=C/N=C(/C(=C)NS(=O)(=O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-N,N-dibenzyl-N'-ethenylprop-2-enimidamide?
The InChIKey is PXPMPUKWTWOWFW-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-3-26-25(21(2)27-31(29,30)24-17-11-6-12-18-24)28(19-22-13-7-4-8-14-22)20-23-15-9-5-10-16-23/h3-18,27H,1-2,19-20H2/b26-25-.
What are the key properties of 2-(benzenesulfonamido)-N,N-dibenzyl-N'-ethenylprop-2-enimidamide?
2-(benzenesulfonamido)-N,N-dibenzyl-N'-ethenylprop-2-enimidamide has a molecular weight of 431.56 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N,N-dibenzyl-N'-ethenylprop-2-enimidamide is sourced from PubChem (CID 170406769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).