propan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate

C11H14FN3O4S2 — CID 114463692

IUPACpropan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)Nc1ccc(F)cc1C(N)=S
InChIInChI=1S/C11H14FN3O4S2/c1-6(2)19-11(16)15-21(17,18)14-9-4-3-7(12)5-8(9)10(13)20/h3-6,14H,1-2H3,(H2,13,20)(H,15,16)
InChIKeyUWIDHHUSOLKKED-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.25
Rot. Bonds5

About propan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate

propan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate (PubChem CID 114463692) has the molecular formula C11H14FN3O4S2 and a molecular weight of 335.38 g/mol. Its IUPAC name is propan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate
PubChem CID114463692
Molecular FormulaC11H14FN3O4S2
Molecular Weight335.38 g/mol
Exact Mass335.04
IUPAC Namepropan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)Nc1ccc(F)cc1C(N)=S
InChIInChI=1S/C11H14FN3O4S2/c1-6(2)19-11(16)15-21(17,18)14-9-4-3-7(12)5-8(9)10(13)20/h3-6,14H,1-2H3,(H2,13,20)(H,15,16)
InChIKeyUWIDHHUSOLKKED-UHFFFAOYSA-N
XLogP1.25
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze propan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethylsulfamoylamino)-5-fluorobenzenecarbothioamide
CID 114808511
5-fluoro-2-(2-propan-2-yloxyethylsulfonylamino)benzenecarbothioamide
CID 82015535
methyl 2-(2-carbamothioyl-4-fluoroanilino)propanoate
CID 63674729
propan-2-yl N-[(4-carbamimidoyl-2-fluorophenyl)sulfamoyl]carbamate
CID 114467559
5-fluoro-2-[(4-fluorophenyl)sulfonylamino]benzenecarbothioamide
CID 82683778
propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
CID 114461496
5-fluoro-2-(2-methylsulfonylethylsulfonylamino)benzenecarbothioamide
CID 82016244
propan-2-yl N-[[2-(aminomethyl)-3-fluorophenyl]sulfamoyl]carbamate
CID 114461222
propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 103144752
5-fluoro-2-(2-methylpropylsulfamoylamino)benzoic acid
CID 114814357
propan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 106954584
methyl N-[(3-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate
CID 114463601

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate (CID 114463692) is propan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)Nc1ccc(F)cc1C(N)=S.
What is the InChIKey of propan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate?
The InChIKey is UWIDHHUSOLKKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4S2/c1-6(2)19-11(16)15-21(17,18)14-9-4-3-7(12)5-8(9)10(13)20/h3-6,14H,1-2H3,(H2,13,20)(H,15,16).
What are the key properties of propan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate?
propan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate has a molecular weight of 335.38 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate is sourced from PubChem (CID 114463692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).