3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide

C14H22N2OS — CID 63963366

IUPAC3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCCSC)cc1C
InChIInChI=1S/C14H22N2OS/c1-4-7-15-13-6-5-12(10-11(13)2)14(17)16-8-9-18-3/h5-6,10,15H,4,7-9H2,1-3H3,(H,16,17)
InChIKeyKEHAWCYGWDSATH-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.91
Rot. Bonds7

About 3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide

3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide (PubChem CID 63963366) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide
PubChem CID63963366
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCCSC)cc1C
InChIInChI=1S/C14H22N2OS/c1-4-7-15-13-6-5-12(10-11(13)2)14(17)16-8-9-18-3/h5-6,10,15H,4,7-9H2,1-3H3,(H,16,17)
InChIKeyKEHAWCYGWDSATH-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-N-(2-methylsulfanylethyl)-4-(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-amino-3-oxopropyl)-3-methyl-4-(propylamino)benzamide
CID 63210532
3-methyl-4-(propylamino)-N-(2,3,3-trimethylbutyl)benzamide
CID 83145027
3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
CID 106409151
2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide
CID 58451849
N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide
CID 63213686
3-methyl-4-(propylamino)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 63213934
3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)benzamide
CID 63283692
3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide
CID 63211762
3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(propylamino)benzamide
CID 106408291
4-(2,2-dicyanoethenylamino)-3-methyl-N-propylbenzamide
CID 168542026
5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)benzamide
CID 63962306
3-methyl-4-(propylamino)-N-(thiolan-3-ylmethyl)benzamide
CID 107298173

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide?
The IUPAC name of 3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide (CID 63963366) is 3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide.
What is the SMILES notation for 3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide?
The canonical SMILES for 3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NCCSC)cc1C.
What is the InChIKey of 3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide?
The InChIKey is KEHAWCYGWDSATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-7-15-13-6-5-12(10-11(13)2)14(17)16-8-9-18-3/h5-6,10,15H,4,7-9H2,1-3H3,(H,16,17).
What are the key properties of 3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide?
3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide has a molecular weight of 266.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylsulfanylethyl)-4-(propylamino)benzamide is sourced from PubChem (CID 63963366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).