[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium

C16H20ClN2OS+ — CID 8964695

IUPAC[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESCc1cc(C)c(NC(=O)C[NH+](C)Cc2cccs2)c(Cl)c1
InChIInChI=1S/C16H19ClN2OS/c1-11-7-12(2)16(14(17)8-11)18-15(20)10-19(3)9-13-5-4-6-21-13/h4-8H,9-10H2,1-3H3,(H,18,20)/p+1
InChIKeyGIWUIIJMCGKKGO-UHFFFAOYSA-O
MW323.87 g/mol
LogP2.67
Rot. Bonds5

About [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium

[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium (PubChem CID 8964695) has the molecular formula C16H20ClN2OS+ and a molecular weight of 323.87 g/mol. Its IUPAC name is [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
PubChem CID8964695
Molecular FormulaC16H20ClN2OS+
Molecular Weight323.87 g/mol
Exact Mass323.10
IUPAC Name[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESCc1cc(C)c(NC(=O)C[NH+](C)Cc2cccs2)c(Cl)c1
InChIInChI=1S/C16H19ClN2OS/c1-11-7-12(2)16(14(17)8-11)18-15(20)10-19(3)9-13-5-4-6-21-13/h4-8H,9-10H2,1-3H3,(H,18,20)/p+1
InChIKeyGIWUIIJMCGKKGO-UHFFFAOYSA-O
XLogP2.67
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium 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

[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054938
[2-(2,5-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965622
[2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965577
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054318
[(2R)-oxolan-2-yl]methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-(thiophen-2-ylmethyl)azanium
CID 9055194
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339154
[2-(4-chloro-2-nitroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965814
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965954
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965326
methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
CID 9339628
methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9103197
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium (CID 8964695) is [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium is Cc1cc(C)c(NC(=O)C[NH+](C)Cc2cccs2)c(Cl)c1.
What is the InChIKey of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is GIWUIIJMCGKKGO-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H19ClN2OS/c1-11-7-12(2)16(14(17)8-11)18-15(20)10-19(3)9-13-5-4-6-21-13/h4-8H,9-10H2,1-3H3,(H,18,20)/p+1.
What are the key properties of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 323.87 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8964695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).