5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)benzamide

C15H24N2OS — CID 63962306

IUPAC5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(C)cc1C(=O)NCCCSC
InChIInChI=1S/C15H24N2OS/c1-4-8-16-14-7-6-12(2)11-13(14)15(18)17-9-5-10-19-3/h6-7,11,16H,4-5,8-10H2,1-3H3,(H,17,18)
InChIKeyPHCWOTDXZPZLGJ-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.30
Rot. Bonds8

About 5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)benzamide

5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)benzamide (PubChem CID 63962306) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)benzamide.

Molecular Properties

Compound Name5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)benzamide
PubChem CID63962306
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(C)cc1C(=O)NCCCSC
InChIInChI=1S/C15H24N2OS/c1-4-8-16-14-7-6-12(2)11-13(14)15(18)17-9-5-10-19-3/h6-7,11,16H,4-5,8-10H2,1-3H3,(H,17,18)
InChIKeyPHCWOTDXZPZLGJ-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)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

N-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide
CID 62510706
2-(ethylamino)-5-methyl-N-propylbenzamide
CID 62509654
N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105070236
5-methyl-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55083225
methyl 5-methyl-2-(4-methylsulfanylbutylamino)benzoate
CID 103087420
N-[2-(furan-2-yl)ethyl]-5-methyl-2-(propylamino)benzamide
CID 62510582
5-methyl-2-(3-methylsulfanylpropylcarbamoylamino)benzoic acid
CID 63959210
5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide
CID 103529986
5-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)benzamide
CID 62510534
[2-(butylcarbamoyl)-4-methylphenyl]sulfamic acid
CID 54130469
2-bromo-4-methyl-N-(5-methylsulfanylpentyl)benzamide
CID 104920154
3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide
CID 63963366

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)benzamide?
The IUPAC name of 5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)benzamide (CID 63962306) is 5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)benzamide.
What is the SMILES notation for 5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)benzamide?
The canonical SMILES for 5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)benzamide is CCCNc1ccc(C)cc1C(=O)NCCCSC.
What is the InChIKey of 5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)benzamide?
The InChIKey is PHCWOTDXZPZLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-8-16-14-7-6-12(2)11-13(14)15(18)17-9-5-10-19-3/h6-7,11,16H,4-5,8-10H2,1-3H3,(H,17,18).
What are the key properties of 5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)benzamide?
5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)benzamide has a molecular weight of 280.44 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)benzamide is sourced from PubChem (CID 63962306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).