3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide

C14H23N3O3S — CID 61125157

IUPAC3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNS(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C14H23N3O3S/c1-4-17(5-2)13(18)9-10-16-21(19,20)14-11(3)7-6-8-12(14)15/h6-8,16H,4-5,9-10,15H2,1-3H3
InChIKeyJDPQDALPFAEUNQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.11
Rot. Bonds7

About 3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide

3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide (PubChem CID 61125157) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide
PubChem CID61125157
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNS(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C14H23N3O3S/c1-4-17(5-2)13(18)9-10-16-21(19,20)14-11(3)7-6-8-12(14)15/h6-8,16H,4-5,9-10,15H2,1-3H3
InChIKeyJDPQDALPFAEUNQ-UHFFFAOYSA-N
XLogP1.11
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide 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-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
2-amino-N-hexyl-6-methylbenzenesulfonamide
CID 61110838
2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide
CID 107843459
2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615118
3-[(2,5-dimethylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 30482009
2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylacetamide
CID 43452561
2-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 55097806
3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
CID 61102386
3-[ethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid
CID 120516640
2-amino-6-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61112321
2-amino-N-[(4-ethylphenyl)methyl]-6-methylbenzenesulfonamide
CID 106899187
2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43452325

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide (CID 61125157) is 3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNS(=O)(=O)c1c(C)cccc1N.
What is the InChIKey of 3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide?
The InChIKey is JDPQDALPFAEUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-17(5-2)13(18)9-10-16-21(19,20)14-11(3)7-6-8-12(14)15/h6-8,16H,4-5,9-10,15H2,1-3H3.
What are the key properties of 3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide?
3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide has a molecular weight of 313.42 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-6-methylphenyl)sulfonylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 61125157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).