N-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide

C13H19NO4S — CID 47269187

IUPACN-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide
SMILESCOCCCC(=O)NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C13H19NO4S/c1-10-6-7-11(2)12(9-10)19(16,17)14-13(15)5-4-8-18-3/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyWLAPRLIUNHJKET-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.53
Rot. Bonds6

About N-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide

N-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide (PubChem CID 47269187) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide
PubChem CID47269187
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC NameN-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide
SMILESCOCCCC(=O)NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C13H19NO4S/c1-10-6-7-11(2)12(9-10)19(16,17)14-13(15)5-4-8-18-3/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyWLAPRLIUNHJKET-UHFFFAOYSA-N
XLogP1.53
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide
CID 47269188
6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide
CID 47052057
N-(2,5-dimethylphenyl)sulfonyl-2-ethoxyacetamide
CID 146132180
1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
CID 134090359
N-(5-hydroxy-2-methylphenyl)sulfonylhexadecanamide
CID 67788788
2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide
CID 39353588
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 35990783
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 24517108
N-(3-methoxypropyl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17477589
4-(2-methoxyethoxy)-N-naphthalen-1-ylsulfonylbutanamide
CID 175731670
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide
CID 9107112
N-(2,4-dimethylphenyl)sulfonyl-4,4,4-trifluorobutanamide
CID 146129663

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide?
The IUPAC name of N-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide (CID 47269187) is N-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide is COCCCC(=O)NS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide?
The InChIKey is WLAPRLIUNHJKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10-6-7-11(2)12(9-10)19(16,17)14-13(15)5-4-8-18-3/h6-7,9H,4-5,8H2,1-3H3,(H,14,15).
What are the key properties of N-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide?
N-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide has a molecular weight of 285.37 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide is sourced from PubChem (CID 47269187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).