3-[(2,4-dimethylphenyl)sulfonylamino]-N-methoxy-N-methylpropanamide

C13H20N2O4S — CID 47159796

IUPAC3-[(2,4-dimethylphenyl)sulfonylamino]-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)CCNS(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C13H20N2O4S/c1-10-5-6-12(11(2)9-10)20(17,18)14-8-7-13(16)15(3)19-4/h5-6,9,14H,7-8H2,1-4H3
InChIKeyFPUZNSFFXVMTBP-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.99
Rot. Bonds6

About 3-[(2,4-dimethylphenyl)sulfonylamino]-N-methoxy-N-methylpropanamide

3-[(2,4-dimethylphenyl)sulfonylamino]-N-methoxy-N-methylpropanamide (PubChem CID 47159796) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfonylamino]-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfonylamino]-N-methoxy-N-methylpropanamide
PubChem CID47159796
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name3-[(2,4-dimethylphenyl)sulfonylamino]-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)CCNS(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C13H20N2O4S/c1-10-5-6-12(11(2)9-10)20(17,18)14-8-7-13(16)15(3)19-4/h5-6,9,14H,7-8H2,1-4H3
InChIKeyFPUZNSFFXVMTBP-UHFFFAOYSA-N
XLogP0.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-3-[(2,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 51274726
N-[[4-(dimethylamino)phenyl]methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 55437978
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide
CID 78783386
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86976069
3-[(2,5-dimethylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 30482009
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-N-(2-methoxyethyl)acetamide
CID 113053219
3-[(2,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 55549968
tert-butyl 4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 55509878
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide
CID 108574932
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide
CID 103875907
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 51162258

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-methoxy-N-methylpropanamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-methoxy-N-methylpropanamide (CID 47159796) is 3-[(2,4-dimethylphenyl)sulfonylamino]-N-methoxy-N-methylpropanamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-methoxy-N-methylpropanamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-methoxy-N-methylpropanamide is CON(C)C(=O)CCNS(=O)(=O)c1ccc(C)cc1C.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-methoxy-N-methylpropanamide?
The InChIKey is FPUZNSFFXVMTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10-5-6-12(11(2)9-10)20(17,18)14-8-7-13(16)15(3)19-4/h5-6,9,14H,7-8H2,1-4H3.
What are the key properties of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-methoxy-N-methylpropanamide?
3-[(2,4-dimethylphenyl)sulfonylamino]-N-methoxy-N-methylpropanamide has a molecular weight of 300.38 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 47159796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).