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

C14H22N2OS — CID 102705609

IUPAC5-amino-2,4-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzamide
SMILESCSCC(C)CNC(=O)c1cc(N)c(C)cc1C
InChIInChI=1S/C14H22N2OS/c1-9(8-18-4)7-16-14(17)12-6-13(15)11(3)5-10(12)2/h5-6,9H,7-8,15H2,1-4H3,(H,16,17)
InChIKeyVAWGNOOKPVHVGO-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.61
Rot. Bonds5

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

5-amino-2,4-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzamide (PubChem CID 102705609) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzamide
PubChem CID102705609
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name5-amino-2,4-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzamide
SMILESCSCC(C)CNC(=O)c1cc(N)c(C)cc1C
InChIInChI=1S/C14H22N2OS/c1-9(8-18-4)7-16-14(17)12-6-13(15)11(3)5-10(12)2/h5-6,9H,7-8,15H2,1-4H3,(H,16,17)
InChIKeyVAWGNOOKPVHVGO-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2,4-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzamide 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

5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63981550
2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63983695
5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 102705881
5-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 114089506
3-amino-4-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63982617
5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 102705513
3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63982400
5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102704987
2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63962308
5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide
CID 102705072
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide
CID 102705008
5-amino-N-(3-hydroxypentyl)-2,4-dimethylbenzamide
CID 102705958

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzamide (CID 102705609) is 5-amino-2,4-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzamide is CSCC(C)CNC(=O)c1cc(N)c(C)cc1C.
What is the InChIKey of 5-amino-2,4-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The InChIKey is VAWGNOOKPVHVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-9(8-18-4)7-16-14(17)12-6-13(15)11(3)5-10(12)2/h5-6,9H,7-8,15H2,1-4H3,(H,16,17).
What are the key properties of 5-amino-2,4-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
5-amino-2,4-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzamide has a molecular weight of 266.41 g/mol, XLogP of 2.61, 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-(2-methyl-3-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 102705609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).