1-(4-benzylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea

C21H20N4O4S — CID 11774586

IUPAC1-(4-benzylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea
SMILESNS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C21H20N4O4S/c22-30(28,29)19-12-8-17(9-13-19)20(26)24-25-21(27)23-18-10-6-16(7-11-18)14-15-4-2-1-3-5-15/h1-13H,14H2,(H,24,26)(H2,22,28,29)(H2,23,25,27)
InChIKeyGABLEBZQJSDXNP-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.39
Rot. Bonds5

About 1-(4-benzylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea

1-(4-benzylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea (PubChem CID 11774586) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is 1-(4-benzylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea.

Molecular Properties

Compound Name1-(4-benzylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea
PubChem CID11774586
Molecular FormulaC21H20N4O4S
Molecular Weight424.48 g/mol
Exact Mass424.12
IUPAC Name1-(4-benzylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea
SMILESNS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C21H20N4O4S/c22-30(28,29)19-12-8-17(9-13-19)20(26)24-25-21(27)23-18-10-6-16(7-11-18)14-15-4-2-1-3-5-15/h1-13H,14H2,(H,24,26)(H2,22,28,29)(H2,23,25,27)
InChIKeyGABLEBZQJSDXNP-UHFFFAOYSA-N
XLogP2.39
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-benzylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{[(4-nitrophenyl)carbamoyl]amino}-4-sulfamoylbenzamide
CID 11164855
N-{[(4-bromophenyl)carbamoyl]amino}-4-sulfamoylbenzamide
CID 11223689
N-({[4-(adamantan-1-yl)phenyl]carbamoyl}amino)-4-sulfamoylbenzamide
CID 11317320
N-{[(4-phenylphenyl)carbamoyl]amino}-4-sulfamoylbenzamide
CID 11407223
N-{[(4-acetylphenyl)carbamoyl]amino}-4-sulfamoylbenzamide
CID 11463026
N-[4-({2-[(4-methylphenyl)sulfonyl]hydrazino}carbonyl)phenyl]cyclopropanecarboxamide
CID 1013377
N-phenyl-4-(phenylsulfonamido)benzamide
CID 1362627
N-(4-{[2-(2-methylbenzoyl)hydrazino]sulfonyl}phenyl)acetamide
CID 730403
N-[4-({2-[(4-methylphenyl)sulfonyl]hydrazino}carbonyl)phenyl]acetamide
CID 777181
1-Cyclohexyl-3-[[3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]amino]urea
CID 2344773
3-(benzamidocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide
CID 2563648
N-(4-{[2-(4-methylbenzoyl)hydrazino]sulfonyl}phenyl)acetamide
CID 4356144

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea?
The IUPAC name of 1-(4-benzylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea (CID 11774586) is 1-(4-benzylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea.
What is the SMILES notation for 1-(4-benzylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea?
The canonical SMILES for 1-(4-benzylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea is NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Cc3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4-benzylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea?
The InChIKey is GABLEBZQJSDXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S/c22-30(28,29)19-12-8-17(9-13-19)20(26)24-25-21(27)23-18-10-6-16(7-11-18)14-15-4-2-1-3-5-15/h1-13H,14H2,(H,24,26)(H2,22,28,29)(H2,23,25,27).
What are the key properties of 1-(4-benzylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea?
1-(4-benzylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea has a molecular weight of 424.48 g/mol, XLogP of 2.39, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea is sourced from PubChem (CID 11774586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).