N-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)benzamide

C18H19NOS2 — CID 26894465

IUPACN-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(C2SCCS2)cc1
InChIInChI=1S/C18H19NOS2/c1-12-4-3-5-13(2)16(12)19-17(20)14-6-8-15(9-7-14)18-21-10-11-22-18/h3-9,18H,10-11H2,1-2H3,(H,19,20)
InChIKeyUJFKRDDQBSDWHT-UHFFFAOYSA-N
MW329.49 g/mol
LogP5.03
Rot. Bonds3

About N-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)benzamide

N-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)benzamide (PubChem CID 26894465) has the molecular formula C18H19NOS2 and a molecular weight of 329.49 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
PubChem CID26894465
Molecular FormulaC18H19NOS2
Molecular Weight329.49 g/mol
Exact Mass329.09
IUPAC NameN-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(C2SCCS2)cc1
InChIInChI=1S/C18H19NOS2/c1-12-4-3-5-13(2)16(12)19-17(20)14-6-8-15(9-7-14)18-21-10-11-22-18/h3-9,18H,10-11H2,1-2H3,(H,19,20)
InChIKeyUJFKRDDQBSDWHT-UHFFFAOYSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)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-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 26904071
N-(5-chloro-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
CID 8502374
N-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
CID 40600054
4-(1,3-dithiolan-2-yl)-N-(3-methylsulfanylphenyl)benzamide
CID 8761867
N-(2,6-dimethylphenyl)-4-sulfanylbenzamide
CID 107021367
4-(1,3-dithiolan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 26907180
4-(1,3-dithiolan-2-yl)-N-methoxybenzamide
CID 27745104
4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049294
N-(1,3-benzothiazol-2-yl)-4-(1,3-dithiolan-2-yl)benzamide
CID 8882679
4-(1,3-dithiolan-2-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7962066
4-(1,3-dithiolan-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 46807139
N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide
CID 14500553

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)benzamide (CID 26894465) is N-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)benzamide is Cc1cccc(C)c1NC(=O)c1ccc(C2SCCS2)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)benzamide?
The InChIKey is UJFKRDDQBSDWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS2/c1-12-4-3-5-13(2)16(12)19-17(20)14-6-8-15(9-7-14)18-21-10-11-22-18/h3-9,18H,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)benzamide?
N-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)benzamide has a molecular weight of 329.49 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)benzamide is sourced from PubChem (CID 26894465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).