1-N'-(3-fluorophenyl)-1-N-[4-(2-phenylethylsulfamoyl)phenyl]cyclopropane-1,1-dicarboxamide

C25H24FN3O4S — CID 156828632

IUPAC1-N'-(3-fluorophenyl)-1-N-[4-(2-phenylethylsulfamoyl)phenyl]cyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)C1(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C25H24FN3O4S/c26-19-7-4-8-21(17-19)29-24(31)25(14-15-25)23(30)28-20-9-11-22(12-10-20)34(32,33)27-16-13-18-5-2-1-3-6-18/h1-12,17,27H,13-16H2,(H,28,30)(H,29,31)
InChIKeyUVXGMNFIXIJDKZ-UHFFFAOYSA-N
MW481.55 g/mol
LogP3.70
Rot. Bonds9

About 1-N'-(3-fluorophenyl)-1-N-[4-(2-phenylethylsulfamoyl)phenyl]cyclopropane-1,1-dicarboxamide

1-N'-(3-fluorophenyl)-1-N-[4-(2-phenylethylsulfamoyl)phenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 156828632) has the molecular formula C25H24FN3O4S and a molecular weight of 481.55 g/mol. Its IUPAC name is 1-N'-(3-fluorophenyl)-1-N-[4-(2-phenylethylsulfamoyl)phenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3-fluorophenyl)-1-N-[4-(2-phenylethylsulfamoyl)phenyl]cyclopropane-1,1-dicarboxamide
PubChem CID156828632
Molecular FormulaC25H24FN3O4S
Molecular Weight481.55 g/mol
Exact Mass481.15
IUPAC Name1-N'-(3-fluorophenyl)-1-N-[4-(2-phenylethylsulfamoyl)phenyl]cyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)C1(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C25H24FN3O4S/c26-19-7-4-8-21(17-19)29-24(31)25(14-15-25)23(30)28-20-9-11-22(12-10-20)34(32,33)27-16-13-18-5-2-1-3-6-18/h1-12,17,27H,13-16H2,(H,28,30)(H,29,31)
InChIKeyUVXGMNFIXIJDKZ-UHFFFAOYSA-N
XLogP3.70
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide
CID 109064976
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109061048
1-N-(4-bromophenyl)-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982934
3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide
CID 9412312
N-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide
CID 174893416
3-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109065003
4-fluoro-N-[[4-(2-phenylethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 5191610
N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide
CID 43566343
N-(3-fluorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192108
(E)-3-(4-fluorophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]prop-2-enamide
CID 6291291
2-(benzenesulfonamido)-N-(3-fluorophenyl)acetamide
CID 891841
3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4288383

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3-fluorophenyl)-1-N-[4-(2-phenylethylsulfamoyl)phenyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3-fluorophenyl)-1-N-[4-(2-phenylethylsulfamoyl)phenyl]cyclopropane-1,1-dicarboxamide (CID 156828632) is 1-N'-(3-fluorophenyl)-1-N-[4-(2-phenylethylsulfamoyl)phenyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3-fluorophenyl)-1-N-[4-(2-phenylethylsulfamoyl)phenyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3-fluorophenyl)-1-N-[4-(2-phenylethylsulfamoyl)phenyl]cyclopropane-1,1-dicarboxamide is O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)C1(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 1-N'-(3-fluorophenyl)-1-N-[4-(2-phenylethylsulfamoyl)phenyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is UVXGMNFIXIJDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O4S/c26-19-7-4-8-21(17-19)29-24(31)25(14-15-25)23(30)28-20-9-11-22(12-10-20)34(32,33)27-16-13-18-5-2-1-3-6-18/h1-12,17,27H,13-16H2,(H,28,30)(H,29,31).
What are the key properties of 1-N'-(3-fluorophenyl)-1-N-[4-(2-phenylethylsulfamoyl)phenyl]cyclopropane-1,1-dicarboxamide?
1-N'-(3-fluorophenyl)-1-N-[4-(2-phenylethylsulfamoyl)phenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 481.55 g/mol, XLogP of 3.70, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3-fluorophenyl)-1-N-[4-(2-phenylethylsulfamoyl)phenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 156828632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).