1-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-3-phenylurea

C17H20N4O3S — CID 9242121

IUPAC1-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-3-phenylurea
SMILESC/C(=N/NC(=O)Nc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H20N4O3S/c1-13(19-20-17(22)18-15-7-5-4-6-8-15)14-9-11-16(12-10-14)25(23,24)21(2)3/h4-12H,1-3H3,(H2,18,20,22)/b19-13-
InChIKeyJVXIPXGNPMTNKP-UYRXBGFRSA-N
MW360.44 g/mol
LogP2.48
Rot. Bonds5

About 1-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-3-phenylurea

1-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-3-phenylurea (PubChem CID 9242121) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-3-phenylurea
PubChem CID9242121
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name1-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-3-phenylurea
SMILESC/C(=N/NC(=O)Nc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H20N4O3S/c1-13(19-20-17(22)18-15-7-5-4-6-8-15)14-9-11-16(12-10-14)25(23,24)21(2)3/h4-12H,1-3H3,(H2,18,20,22)/b19-13-
InChIKeyJVXIPXGNPMTNKP-UYRXBGFRSA-N
XLogP2.48
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-3-[(Z)-1-phenylethylideneamino]urea
CID 5407235
1-phenyl-3-[(E)-1-(4-phenylphenyl)ethylideneamino]urea
CID 5375904
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea
CID 9241529
4-(dimethylsulfamoyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638138
1-[1-[4-[(4-methoxyphenyl)carbamothioylamino]phenyl]ethylideneamino]-3-phenylurea
CID 3710651
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
N-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 9233838
N-(2-anilino-2-oxo-1-phenylethyl)-4-(dimethylsulfamoyl)benzamide
CID 55779161
N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
1-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenylurea
CID 24707277
4-chloro-3-[(2Z)-2-[1-[4-(dimethylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 8973961

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-3-phenylurea?
The IUPAC name of 1-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-3-phenylurea (CID 9242121) is 1-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-3-phenylurea?
The canonical SMILES for 1-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-3-phenylurea is C/C(=N/NC(=O)Nc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 1-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-3-phenylurea?
The InChIKey is JVXIPXGNPMTNKP-UYRXBGFRSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-13(19-20-17(22)18-15-7-5-4-6-8-15)14-9-11-16(12-10-14)25(23,24)21(2)3/h4-12H,1-3H3,(H2,18,20,22)/b19-13-.
What are the key properties of 1-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-3-phenylurea?
1-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-3-phenylurea has a molecular weight of 360.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-[4-(dimethylsulfamoyl)phenyl]ethylideneamino]-3-phenylurea is sourced from PubChem (CID 9242121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).