N-[4-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]phenyl]acetamide

C16H26N2OS — CID 103702075

IUPACN-[4-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]phenyl]acetamide
SMILESCCC(CC)(CNCc1ccc(NC(C)=O)cc1)SC
InChIInChI=1S/C16H26N2OS/c1-5-16(6-2,20-4)12-17-11-14-7-9-15(10-8-14)18-13(3)19/h7-10,17H,5-6,11-12H2,1-4H3,(H,18,19)
InChIKeyAGWHLPHDHKKPQY-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.66
Rot. Bonds8

About N-[4-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]phenyl]acetamide

N-[4-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]phenyl]acetamide (PubChem CID 103702075) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-[4-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]phenyl]acetamide
PubChem CID103702075
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-[4-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]phenyl]acetamide
SMILESCCC(CC)(CNCc1ccc(NC(C)=O)cc1)SC
InChIInChI=1S/C16H26N2OS/c1-5-16(6-2,20-4)12-17-11-14-7-9-15(10-8-14)18-13(3)19/h7-10,17H,5-6,11-12H2,1-4H3,(H,18,19)
InChIKeyAGWHLPHDHKKPQY-UHFFFAOYSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]phenyl]acetamide 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-[4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenyl]acetamide
CID 111118557
N-[4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenyl]acetamide
CID 103707998
2-[(4-acetamidophenyl)methylamino]acetamide
CID 16773031
3-[(4-acetamidophenyl)methylamino]propanamide
CID 43553315
N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 20518349
N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
CID 60887172
2-ethyl-2-methylsulfanyl-N-(1H-pyrrol-3-ylmethyl)butan-1-amine
CID 115686344
N-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 107267189
N-[(3-bromo-4-fluorophenyl)methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 114115595
N-[4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]phenyl]acetamide
CID 103657650
N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide
CID 47371785
N-[(3-chloro-4-methoxyphenyl)methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 103702143

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]phenyl]acetamide (CID 103702075) is N-[4-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]phenyl]acetamide is CCC(CC)(CNCc1ccc(NC(C)=O)cc1)SC.
What is the InChIKey of N-[4-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]phenyl]acetamide?
The InChIKey is AGWHLPHDHKKPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-5-16(6-2,20-4)12-17-11-14-7-9-15(10-8-14)18-13(3)19/h7-10,17H,5-6,11-12H2,1-4H3,(H,18,19).
What are the key properties of N-[4-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]phenyl]acetamide?
N-[4-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]phenyl]acetamide has a molecular weight of 294.46 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 103702075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).