N,N-dimethyl-4-(4-methyl-3-oxopentanoyl)benzenesulfonamide

C14H19NO4S — CID 63319990

IUPACN,N-dimethyl-4-(4-methyl-3-oxopentanoyl)benzenesulfonamide
SMILESCC(C)C(=O)CC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H19NO4S/c1-10(2)13(16)9-14(17)11-5-7-12(8-6-11)20(18,19)15(3)4/h5-8,10H,9H2,1-4H3
InChIKeyDFGCRINGZOPXOS-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.73
Rot. Bonds6

About N,N-dimethyl-4-(4-methyl-3-oxopentanoyl)benzenesulfonamide

N,N-dimethyl-4-(4-methyl-3-oxopentanoyl)benzenesulfonamide (PubChem CID 63319990) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-methyl-3-oxopentanoyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-methyl-3-oxopentanoyl)benzenesulfonamide
PubChem CID63319990
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC NameN,N-dimethyl-4-(4-methyl-3-oxopentanoyl)benzenesulfonamide
SMILESCC(C)C(=O)CC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H19NO4S/c1-10(2)13(16)9-14(17)11-5-7-12(8-6-11)20(18,19)15(3)4/h5-8,10H,9H2,1-4H3
InChIKeyDFGCRINGZOPXOS-UHFFFAOYSA-N
XLogP1.73
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418837
4-(4-methyl-3-oxopentanoyl)benzonitrile
CID 63319773
(2S)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 9441553
4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031807
(2R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methylpentanoate
CID 9441550
4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 41192964
4-(dimethylsulfamoyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 9301395
4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide
CID 60655214
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743
(1-amino-1-oxopropan-2-yl) 4-(dimethylsulfamoyl)benzoate
CID 46789274
3-[4-(dimethylsulfamoyl)anilino]butanoic acid
CID 43453879

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-methyl-3-oxopentanoyl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-(4-methyl-3-oxopentanoyl)benzenesulfonamide (CID 63319990) is N,N-dimethyl-4-(4-methyl-3-oxopentanoyl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(4-methyl-3-oxopentanoyl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-(4-methyl-3-oxopentanoyl)benzenesulfonamide is CC(C)C(=O)CC(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-(4-methyl-3-oxopentanoyl)benzenesulfonamide?
The InChIKey is DFGCRINGZOPXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-10(2)13(16)9-14(17)11-5-7-12(8-6-11)20(18,19)15(3)4/h5-8,10H,9H2,1-4H3.
What are the key properties of N,N-dimethyl-4-(4-methyl-3-oxopentanoyl)benzenesulfonamide?
N,N-dimethyl-4-(4-methyl-3-oxopentanoyl)benzenesulfonamide has a molecular weight of 297.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-methyl-3-oxopentanoyl)benzenesulfonamide is sourced from PubChem (CID 63319990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).