N-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide

C14H22N2OS — CID 104668564

IUPACN-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide
SMILESCCSCCNCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C14H22N2OS/c1-3-18-11-10-15-8-9-16-14(17)13-6-4-12(2)5-7-13/h4-7,15H,3,8-11H2,1-2H3,(H,16,17)
InChIKeyLCCUTOVQZOMDAN-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.07
Rot. Bonds8

About N-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide

N-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide (PubChem CID 104668564) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide
PubChem CID104668564
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide
SMILESCCSCCNCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C14H22N2OS/c1-3-18-11-10-15-8-9-16-14(17)13-6-4-12(2)5-7-13/h4-7,15H,3,8-11H2,1-2H3,(H,16,17)
InChIKeyLCCUTOVQZOMDAN-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide 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-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
4-methyl-N-[2-(2-propoxyethylamino)ethyl]benzamide
CID 106451707
2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoic acid
CID 104644042
N-[2-(2-cyanoethylamino)ethyl]-4-methylbenzamide
CID 54880736
methyl 3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate
CID 54880678
4-methyl-N-[2-(2-propylsulfonylethylamino)ethyl]benzamide
CID 106723308
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide
CID 114492846
N-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 60966022
N-[2-[(2-hydroxy-2-methylbutyl)amino]ethyl]-4-methylbenzamide
CID 114492848
methyl 2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate
CID 104644043

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide (CID 104668564) is N-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide is CCSCCNCCNC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide?
The InChIKey is LCCUTOVQZOMDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-18-11-10-15-8-9-16-14(17)13-6-4-12(2)5-7-13/h4-7,15H,3,8-11H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide?
N-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide has a molecular weight of 266.41 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide is sourced from PubChem (CID 104668564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).