propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate

C12H19N3O4S — CID 103144752

IUPACpropan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate
SMILESCc1cc(NS(=O)(=O)NC(=O)OC(C)C)c(C)cc1N
InChIInChI=1S/C12H19N3O4S/c1-7(2)19-12(16)15-20(17,18)14-11-6-8(3)10(13)5-9(11)4/h5-7,14H,13H2,1-4H3,(H,15,16)
InChIKeyUXXQKCJIDFRRQG-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.68
Rot. Bonds4

About propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate

propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate (PubChem CID 103144752) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate
PubChem CID103144752
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Namepropan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate
SMILESCc1cc(NS(=O)(=O)NC(=O)OC(C)C)c(C)cc1N
InChIInChI=1S/C12H19N3O4S/c1-7(2)19-12(16)15-20(17,18)14-11-6-8(3)10(13)5-9(11)4/h5-7,14H,13H2,1-4H3,(H,15,16)
InChIKeyUXXQKCJIDFRRQG-UHFFFAOYSA-N
XLogP1.68
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze propan-2-yl N-[(4-amino-2,5-dimethylphenyl)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-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 106954584
propan-2-yl N-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]carbamate
CID 114461679
propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
CID 114461496
propan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate
CID 114461500
propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate
CID 114466730
propan-2-yl N-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate
CID 114463997
propan-2-yl N-[(2-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate
CID 114050687
ethyl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 106954598
1-amino-2,5-dimethyl-4-(sulfamoylamino)benzene
CID 103144711
N-(4-amino-2,5-dimethylphenyl)methanesulfonamide
CID 103144685
propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate
CID 102696028
propan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate
CID 114463692

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate (CID 103144752) is propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate is Cc1cc(NS(=O)(=O)NC(=O)OC(C)C)c(C)cc1N.
What is the InChIKey of propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate?
The InChIKey is UXXQKCJIDFRRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-7(2)19-12(16)15-20(17,18)14-11-6-8(3)10(13)5-9(11)4/h5-7,14H,13H2,1-4H3,(H,15,16).
What are the key properties of propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate?
propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate has a molecular weight of 301.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate is sourced from PubChem (CID 103144752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).