1-(2-fluorophenyl)-3-[[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]urea

C23H23FN4O4S — CID 25478054

IUPAC1-(2-fluorophenyl)-3-[[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]urea
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)Nc3ccccc3F)cc2)cc1
InChIInChI=1S/C23H23FN4O4S/c1-16-7-13-19(14-8-16)33(31,32)28(2)15-17-9-11-18(12-10-17)22(29)26-27-23(30)25-21-6-4-3-5-20(21)24/h3-14H,15H2,1-2H3,(H,26,29)(H2,25,27,30)
InChIKeyJJDBZMGXQANSAV-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.42
Rot. Bonds6

About 1-(2-fluorophenyl)-3-[[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]urea

1-(2-fluorophenyl)-3-[[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]urea (PubChem CID 25478054) has the molecular formula C23H23FN4O4S and a molecular weight of 470.53 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]urea
PubChem CID25478054
Molecular FormulaC23H23FN4O4S
Molecular Weight470.53 g/mol
Exact Mass470.14
IUPAC Name1-(2-fluorophenyl)-3-[[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]urea
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)Nc3ccccc3F)cc2)cc1
InChIInChI=1S/C23H23FN4O4S/c1-16-7-13-19(14-8-16)33(31,32)28(2)15-17-9-11-18(12-10-17)22(29)26-27-23(30)25-21-6-4-3-5-20(21)24/h3-14H,15H2,1-2H3,(H,26,29)(H2,25,27,30)
InChIKeyJJDBZMGXQANSAV-UHFFFAOYSA-N
XLogP3.42
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.42
H-Bond Donors ≤ 53
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-(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-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4781208
N-[4-({2-[(4-methylphenyl)sulfonyl]hydrazino}carbonyl)phenyl]acetamide
CID 777181
N-{4-[({4-[2-(acetylamino)ethyl]phenyl}sulfonyl)amino]phenyl}-4-fluorobenzamide
CID 1506393
4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 2089560
N'-(4-methylbenzoyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzohydrazide
CID 2445853
3-(benzamidocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide
CID 2563648
N-(4-{[2-(4-methylbenzoyl)hydrazino]sulfonyl}phenyl)acetamide
CID 4356144
N-[2-(4-fluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4571992
1-(4-Benzylphenyl)-3-[(4-sulfamoylbenzoyl)amino]urea
CID 11774586

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]urea (CID 25478054) is 1-(2-fluorophenyl)-3-[[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]urea is Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)Nc3ccccc3F)cc2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]urea?
The InChIKey is JJDBZMGXQANSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4S/c1-16-7-13-19(14-8-16)33(31,32)28(2)15-17-9-11-18(12-10-17)22(29)26-27-23(30)25-21-6-4-3-5-20(21)24/h3-14H,15H2,1-2H3,(H,26,29)(H2,25,27,30).
What are the key properties of 1-(2-fluorophenyl)-3-[[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]urea?
1-(2-fluorophenyl)-3-[[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]urea has a molecular weight of 470.53 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]urea is sourced from PubChem (CID 25478054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).