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

C20H18N4O4S — CID 11407223

IUPAC1-(4-phenylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea
SMILESNS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H18N4O4S/c21-29(27,28)18-12-8-16(9-13-18)19(25)23-24-20(26)22-17-10-6-15(7-11-17)14-4-2-1-3-5-14/h1-13H,(H,23,25)(H2,21,27,28)(H2,22,24,26)
InChIKeyATSWEXYSJPCPHS-UHFFFAOYSA-N
MW410.46 g/mol
LogP2.47
Rot. Bonds4

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

1-(4-phenylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea (PubChem CID 11407223) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea.

Molecular Properties

Compound Name1-(4-phenylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea
PubChem CID11407223
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC Name1-(4-phenylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea
SMILESNS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H18N4O4S/c21-29(27,28)18-12-8-16(9-13-18)19(25)23-24-20(26)22-17-10-6-15(7-11-17)14-4-2-1-3-5-14/h1-13H,(H,23,25)(H2,21,27,28)(H2,22,24,26)
InChIKeyATSWEXYSJPCPHS-UHFFFAOYSA-N
XLogP2.47
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-acetylphenyl)carbamoyl]amino}-4-sulfamoylbenzamide
CID 11463026
N-[4-({2-[(4-methylphenyl)sulfonyl]hydrazino}carbonyl)phenyl]cyclopropanecarboxamide
CID 1013377
N-(4-{[2-(2-methylbenzoyl)hydrazino]sulfonyl}phenyl)acetamide
CID 730403
N-[4-({2-[(4-methylphenyl)sulfonyl]hydrazino}carbonyl)phenyl]acetamide
CID 777181
N-(4-{[2-(1-naphthoyl)hydrazino]sulfonyl}phenyl)acetamide
CID 1229322
1-Cyclohexyl-3-[[3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]amino]urea
CID 2344773
3-(benzamidocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide
CID 2563648
1-(4-Benzylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea
CID 11774586
N-[4-[(phenylcarbamoylamino)carbamoyl]phenyl]benzamide
CID 478528

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea?
The IUPAC name of 1-(4-phenylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea (CID 11407223) is 1-(4-phenylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea.
What is the SMILES notation for 1-(4-phenylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea?
The canonical SMILES for 1-(4-phenylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea is NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea?
The InChIKey is ATSWEXYSJPCPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S/c21-29(27,28)18-12-8-16(9-13-18)19(25)23-24-20(26)22-17-10-6-15(7-11-17)14-4-2-1-3-5-14/h1-13H,(H,23,25)(H2,21,27,28)(H2,22,24,26).
What are the key properties of 1-(4-phenylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea?
1-(4-phenylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea has a molecular weight of 410.46 g/mol, XLogP of 2.47, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea is sourced from PubChem (CID 11407223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).