N-[(4-carbamimidoylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenyl]benzamide

C24H26N4O3S — CID 73052178

IUPACN-[(4-carbamimidoylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
SMILES[H]/N=C(\N)c1ccc(CNC(=O)c2ccccc2-c2ccc(S(=O)(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C24H26N4O3S/c1-16(2)28-32(30,31)20-13-11-18(12-14-20)21-5-3-4-6-22(21)24(29)27-15-17-7-9-19(10-8-17)23(25)26/h3-14,16,28H,15H2,1-2H3,(H3,25,26)(H,27,29)
InChIKeyXRUOZVQYTYFHIV-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.25
Rot. Bonds8

About N-[(4-carbamimidoylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenyl]benzamide

N-[(4-carbamimidoylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 73052178) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[(4-carbamimidoylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[(4-carbamimidoylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
PubChem CID73052178
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-[(4-carbamimidoylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
SMILES[H]/N=C(\N)c1ccc(CNC(=O)c2ccccc2-c2ccc(S(=O)(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C24H26N4O3S/c1-16(2)28-32(30,31)20-13-11-18(12-14-20)21-5-3-4-6-22(21)24(29)27-15-17-7-9-19(10-8-17)23(25)26/h3-14,16,28H,15H2,1-2H3,(H3,25,26)(H,27,29)
InChIKeyXRUOZVQYTYFHIV-UHFFFAOYSA-N
XLogP3.25
TPSA125.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide
CID 73051218
2-(3-carbamimidoylphenyl)-N-[(4-carbamimidoylphenyl)methyl]benzamide
CID 87951271
N-[(4-carbamimidoylphenyl)methyl]-4-fluoro-2-(4-sulfamoylphenyl)benzamide
CID 73052015
(2R)-N-[(4-carbamimidoylphenyl)methyl]-2-[(4-carbamimidoylphenyl)sulfonylamino]-3-phenylpropanamide
CID 71449612
2-(4-carbamimidoylphenyl)benzamide
CID 90947918
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55812377
N-[(4-cyanophenyl)methyl]-2-(4-sulfamoylphenyl)benzamide
CID 90070509
N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 16744801
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24575991
N-[(4-carbamimidoylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 73052491
(2S)-N-benzyl-3-(3-carbamimidoylphenyl)-2-[(4-propylphenyl)sulfonylamino]propanamide
CID 142636198

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamimidoylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of N-[(4-carbamimidoylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenyl]benzamide (CID 73052178) is N-[(4-carbamimidoylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for N-[(4-carbamimidoylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for N-[(4-carbamimidoylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenyl]benzamide is [H]/N=C(\N)c1ccc(CNC(=O)c2ccccc2-c2ccc(S(=O)(=O)NC(C)C)cc2)cc1.
What is the InChIKey of N-[(4-carbamimidoylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is XRUOZVQYTYFHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-16(2)28-32(30,31)20-13-11-18(12-14-20)21-5-3-4-6-22(21)24(29)27-15-17-7-9-19(10-8-17)23(25)26/h3-14,16,28H,15H2,1-2H3,(H3,25,26)(H,27,29).
What are the key properties of N-[(4-carbamimidoylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenyl]benzamide?
N-[(4-carbamimidoylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 450.56 g/mol, XLogP of 3.25, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamimidoylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 73052178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).