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

C14H21N3O3S — CID 103171744

IUPAC2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(C)C(=O)NC2CC2)c1N
InChIInChI=1S/C14H21N3O3S/c1-8-4-5-9(2)13(12(8)15)21(19,20)17-10(3)14(18)16-11-6-7-11/h4-5,10-11,17H,6-7,15H2,1-3H3,(H,16,18)
InChIKeyRQKPDBHVMVMJCE-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.83
Rot. Bonds5

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

2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide (PubChem CID 103171744) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide
PubChem CID103171744
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(C)C(=O)NC2CC2)c1N
InChIInChI=1S/C14H21N3O3S/c1-8-4-5-9(2)13(12(8)15)21(19,20)17-10(3)14(18)16-11-6-7-11/h4-5,10-11,17H,6-7,15H2,1-3H3,(H,16,18)
InChIKeyRQKPDBHVMVMJCE-UHFFFAOYSA-N
XLogP0.83
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide 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,N-dimethylpropanamide
CID 103171167
2-[(4-bromophenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 5025044
methyl 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-3-methylbutanoate
CID 103171117
N-cyclopropyl-3-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]benzamide
CID 24610123
ethyl 4-[[(2S)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoyl]amino]piperidine-1-carboxylate
CID 24553992
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
CID 42943353
2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 54950915
(2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7393559
(2R)-N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 7369499
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide
CID 40746707
2-amino-N-hexan-2-yl-3,6-dimethylbenzenesulfonamide
CID 103171433
2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 2955440

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide?
The IUPAC name of 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide (CID 103171744) is 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide is Cc1ccc(C)c(S(=O)(=O)NC(C)C(=O)NC2CC2)c1N.
What is the InChIKey of 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide?
The InChIKey is RQKPDBHVMVMJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-8-4-5-9(2)13(12(8)15)21(19,20)17-10(3)14(18)16-11-6-7-11/h4-5,10-11,17H,6-7,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide?
2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide has a molecular weight of 311.41 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 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-cyclopropylpropanamide is sourced from PubChem (CID 103171744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).