propan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate

C11H17N3O5S — CID 114461500

IUPACpropan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate
SMILESCOc1cc(N)ccc1NS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C11H17N3O5S/c1-7(2)19-11(15)14-20(16,17)13-9-5-4-8(12)6-10(9)18-3/h4-7,13H,12H2,1-3H3,(H,14,15)
InChIKeyFIAWJPYXAMCNBB-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.07
Rot. Bonds5

About propan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate

propan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate (PubChem CID 114461500) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is propan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate
PubChem CID114461500
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Namepropan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate
SMILESCOc1cc(N)ccc1NS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C11H17N3O5S/c1-7(2)19-11(15)14-20(16,17)13-9-5-4-8(12)6-10(9)18-3/h4-7,13H,12H2,1-3H3,(H,14,15)
InChIKeyFIAWJPYXAMCNBB-UHFFFAOYSA-N
XLogP1.07
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze propan-2-yl N-[(4-amino-2-methoxyphenyl)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

propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
CID 114461496
N-(4-amino-2-methoxyphenyl)propane-2-sulfonamide
CID 60859602
propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate
CID 102696028
propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 103144752
propan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate
CID 114463692
methyl N-[(5-amino-2-fluorophenyl)sulfamoyl]carbamate
CID 114461484
N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide
CID 28783407
propan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 106954584
propan-2-yl N-[1-(3-aminophenyl)ethylsulfamoyl]carbamate
CID 114461545
methyl 3-(propan-2-yloxycarbonylsulfamoylamino)benzoate
CID 114465381
propan-2-yl N-[(4-carbamimidoyl-2-fluorophenyl)sulfamoyl]carbamate
CID 114467559
propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate
CID 114466730

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate (CID 114461500) is propan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate is COc1cc(N)ccc1NS(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate?
The InChIKey is FIAWJPYXAMCNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-7(2)19-11(15)14-20(16,17)13-9-5-4-8(12)6-10(9)18-3/h4-7,13H,12H2,1-3H3,(H,14,15).
What are the key properties of propan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate?
propan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate has a molecular weight of 303.34 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate is sourced from PubChem (CID 114461500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).