5-amino-2,4-dimethyl-N-(3-methylsulfinylpropyl)benzamide

C13H20N2O2S — CID 102705947

IUPAC5-amino-2,4-dimethyl-N-(3-methylsulfinylpropyl)benzamide
SMILESCc1cc(C)c(C(=O)NCCCS(C)=O)cc1N
InChIInChI=1S/C13H20N2O2S/c1-9-7-10(2)12(14)8-11(9)13(16)15-5-4-6-18(3)17/h7-8H,4-6,14H2,1-3H3,(H,15,16)
InChIKeyZJWVXYJJWACTJK-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.38
Rot. Bonds5

About 5-amino-2,4-dimethyl-N-(3-methylsulfinylpropyl)benzamide

5-amino-2,4-dimethyl-N-(3-methylsulfinylpropyl)benzamide (PubChem CID 102705947) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-(3-methylsulfinylpropyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-(3-methylsulfinylpropyl)benzamide
PubChem CID102705947
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name5-amino-2,4-dimethyl-N-(3-methylsulfinylpropyl)benzamide
SMILESCc1cc(C)c(C(=O)NCCCS(C)=O)cc1N
InChIInChI=1S/C13H20N2O2S/c1-9-7-10(2)12(14)8-11(9)13(16)15-5-4-6-18(3)17/h7-8H,4-6,14H2,1-3H3,(H,15,16)
InChIKeyZJWVXYJJWACTJK-UHFFFAOYSA-N
XLogP1.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102704987
5-amino-N-hexyl-2,4-dimethylbenzamide
CID 102705178
5-amino-2,4-difluoro-N-(3-methylsulfinylpropyl)benzamide
CID 113487107
5-amino-N-hex-5-ynyl-2,4-dimethylbenzamide
CID 114158330
5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide
CID 102704827
5-amino-N-but-3-ynyl-2,4-dimethylbenzamide
CID 102705618
2-bromo-N-(3-methylsulfinylpropyl)benzamide
CID 115619981
5-amino-N-(3-hydroxypentyl)-2,4-dimethylbenzamide
CID 102705958
5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 102705513
3-amino-4-methoxy-N-(3-methylsulfinylpropyl)benzamide
CID 113487114
5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide
CID 102705898
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide
CID 102705008

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-(3-methylsulfinylpropyl)benzamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-(3-methylsulfinylpropyl)benzamide (CID 102705947) is 5-amino-2,4-dimethyl-N-(3-methylsulfinylpropyl)benzamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-(3-methylsulfinylpropyl)benzamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-(3-methylsulfinylpropyl)benzamide is Cc1cc(C)c(C(=O)NCCCS(C)=O)cc1N.
What is the InChIKey of 5-amino-2,4-dimethyl-N-(3-methylsulfinylpropyl)benzamide?
The InChIKey is ZJWVXYJJWACTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-7-10(2)12(14)8-11(9)13(16)15-5-4-6-18(3)17/h7-8H,4-6,14H2,1-3H3,(H,15,16).
What are the key properties of 5-amino-2,4-dimethyl-N-(3-methylsulfinylpropyl)benzamide?
5-amino-2,4-dimethyl-N-(3-methylsulfinylpropyl)benzamide has a molecular weight of 268.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethyl-N-(3-methylsulfinylpropyl)benzamide is sourced from PubChem (CID 102705947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).