N-[4-[(4-fluorophenyl)carbamothioylamino]phenyl]sulfonylacetamide

C15H14FN3O3S2 — CID 25044330

IUPACN-[4-[(4-fluorophenyl)carbamothioylamino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FN3O3S2/c1-10(20)19-24(21,22)14-8-6-13(7-9-14)18-15(23)17-12-4-2-11(16)3-5-12/h2-9H,1H3,(H,19,20)(H2,17,18,23)
InChIKeyDVODJLASGXADJW-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.46
Rot. Bonds4

About N-[4-[(4-fluorophenyl)carbamothioylamino]phenyl]sulfonylacetamide

N-[4-[(4-fluorophenyl)carbamothioylamino]phenyl]sulfonylacetamide (PubChem CID 25044330) has the molecular formula C15H14FN3O3S2 and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)carbamothioylamino]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)carbamothioylamino]phenyl]sulfonylacetamide
PubChem CID25044330
Molecular FormulaC15H14FN3O3S2
Molecular Weight367.43 g/mol
Exact Mass367.05
IUPAC NameN-[4-[(4-fluorophenyl)carbamothioylamino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FN3O3S2/c1-10(20)19-24(21,22)14-8-6-13(7-9-14)18-15(23)17-12-4-2-11(16)3-5-12/h2-9H,1H3,(H,19,20)(H2,17,18,23)
InChIKeyDVODJLASGXADJW-UHFFFAOYSA-N
XLogP2.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-(acetylsulfamoyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 3379076
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
N-[4-(acetylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 4786491
N-[[4-(acetylsulfamoyl)phenyl]carbamothioyl]heptanamide
CID 54789393
N,N'-bis[4-(acetylsulfamoyl)phenyl]hexanediamide
CID 3474503
N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide
CID 4199591
N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]phenyl]sulfonylacetamide
CID 10789418
4-fluoro-N-prop-1-en-2-ylbenzenesulfonamide
CID 175173681
diaminomethylidene-[4-[(4-fluorophenyl)carbamothioylamino]phenyl]sulfonylazanium
CID 5079682
N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide
CID 17153285
N-[4-(prop-2-enylcarbamothioylsulfamoyl)phenyl]acetamide
CID 121011371
N-[4-(acetylsulfamoyl)phenyl]-2-(6-fluoroindol-1-yl)acetamide
CID 29136353

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)carbamothioylamino]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[(4-fluorophenyl)carbamothioylamino]phenyl]sulfonylacetamide (CID 25044330) is N-[4-[(4-fluorophenyl)carbamothioylamino]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)carbamothioylamino]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)carbamothioylamino]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[(4-fluorophenyl)carbamothioylamino]phenyl]sulfonylacetamide?
The InChIKey is DVODJLASGXADJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S2/c1-10(20)19-24(21,22)14-8-6-13(7-9-14)18-15(23)17-12-4-2-11(16)3-5-12/h2-9H,1H3,(H,19,20)(H2,17,18,23).
What are the key properties of N-[4-[(4-fluorophenyl)carbamothioylamino]phenyl]sulfonylacetamide?
N-[4-[(4-fluorophenyl)carbamothioylamino]phenyl]sulfonylacetamide has a molecular weight of 367.43 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)carbamothioylamino]phenyl]sulfonylacetamide is sourced from PubChem (CID 25044330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).