2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N,N-dimethylpropanamide

C13H21N3O3S — CID 103171167

IUPAC2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(C)C(=O)N(C)C)c1N
InChIInChI=1S/C13H21N3O3S/c1-8-6-7-9(2)12(11(8)14)20(18,19)15-10(3)13(17)16(4)5/h6-7,10,15H,14H2,1-5H3
InChIKeyOSCAKQCMBWRUBY-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.64
Rot. Bonds4

About 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N,N-dimethylpropanamide

2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N,N-dimethylpropanamide (PubChem CID 103171167) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N,N-dimethylpropanamide
PubChem CID103171167
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(C)C(=O)N(C)C)c1N
InChIInChI=1S/C13H21N3O3S/c1-8-6-7-9(2)12(11(8)14)20(18,19)15-10(3)13(17)16(4)5/h6-7,10,15H,14H2,1-5H3
InChIKeyOSCAKQCMBWRUBY-UHFFFAOYSA-N
XLogP0.64
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N,N-dimethylpropanamide 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-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 103171744
methyl 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-3-methylbutanoate
CID 103171117
2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 43577463
2-[(6-amino-2,3-dimethylphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103106560
2-amino-N-hexan-2-yl-3,6-dimethylbenzenesulfonamide
CID 103171433
2-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 82843638
2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 43577418
N,N-dimethyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 47372336
2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 80708114
(2S)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]-N,N-dimethylpropanamide
CID 95350278
3-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 103171406
2-[(2-carbamothioylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61467920

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N,N-dimethylpropanamide (CID 103171167) is 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N,N-dimethylpropanamide is Cc1ccc(C)c(S(=O)(=O)NC(C)C(=O)N(C)C)c1N.
What is the InChIKey of 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N,N-dimethylpropanamide?
The InChIKey is OSCAKQCMBWRUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-8-6-7-9(2)12(11(8)14)20(18,19)15-10(3)13(17)16(4)5/h6-7,10,15H,14H2,1-5H3.
What are the key properties of 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N,N-dimethylpropanamide?
2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N,N-dimethylpropanamide has a molecular weight of 299.40 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 103171167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).