4-(1,3-dithian-2-yl)-N-methyl-N-(2-phenoxyethyl)benzamide

C20H23NO2S2 — CID 86906475

IUPAC4-(1,3-dithian-2-yl)-N-methyl-N-(2-phenoxyethyl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1ccc(C2SCCCS2)cc1
InChIInChI=1S/C20H23NO2S2/c1-21(12-13-23-18-6-3-2-4-7-18)19(22)16-8-10-17(11-9-16)20-24-14-5-15-25-20/h2-4,6-11,20H,5,12-15H2,1H3
InChIKeyOTXJGJPHAKVCBD-UHFFFAOYSA-N
MW373.54 g/mol
LogP4.71
Rot. Bonds6

About 4-(1,3-dithian-2-yl)-N-methyl-N-(2-phenoxyethyl)benzamide

4-(1,3-dithian-2-yl)-N-methyl-N-(2-phenoxyethyl)benzamide (PubChem CID 86906475) has the molecular formula C20H23NO2S2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 4-(1,3-dithian-2-yl)-N-methyl-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name4-(1,3-dithian-2-yl)-N-methyl-N-(2-phenoxyethyl)benzamide
PubChem CID86906475
Molecular FormulaC20H23NO2S2
Molecular Weight373.54 g/mol
Exact Mass373.12
IUPAC Name4-(1,3-dithian-2-yl)-N-methyl-N-(2-phenoxyethyl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1ccc(C2SCCCS2)cc1
InChIInChI=1S/C20H23NO2S2/c1-21(12-13-23-18-6-3-2-4-7-18)19(22)16-8-10-17(11-9-16)20-24-14-5-15-25-20/h2-4,6-11,20H,5,12-15H2,1H3
InChIKeyOTXJGJPHAKVCBD-UHFFFAOYSA-N
XLogP4.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1,3-dithian-2-yl)-N-methyl-N-(2-phenoxyethyl)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-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960788
N-[(2,3-dimethoxyphenyl)methyl]-4-(1,3-dithian-2-yl)-N-methylbenzamide
CID 18112066
4-(1,3-dithian-2-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 24551575
N,N-dimethyl-4-(2-phenoxyethoxy)benzamide
CID 28639806
4-(1,3-dithian-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 9482803
N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-dithian-2-yl)benzamide
CID 8743375
4-[2-(methanesulfonamido)ethyl]-N-methyl-N-(2-phenoxyethyl)benzamide
CID 18113163
N-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 60630814
N-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide
CID 178089820
4-(1,3-dithiolan-2-yl)-N-ethyl-N-phenylbenzamide
CID 86977726
N,4-dimethyl-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide
CID 63714789

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithian-2-yl)-N-methyl-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 4-(1,3-dithian-2-yl)-N-methyl-N-(2-phenoxyethyl)benzamide (CID 86906475) is 4-(1,3-dithian-2-yl)-N-methyl-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 4-(1,3-dithian-2-yl)-N-methyl-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 4-(1,3-dithian-2-yl)-N-methyl-N-(2-phenoxyethyl)benzamide is CN(CCOc1ccccc1)C(=O)c1ccc(C2SCCCS2)cc1.
What is the InChIKey of 4-(1,3-dithian-2-yl)-N-methyl-N-(2-phenoxyethyl)benzamide?
The InChIKey is OTXJGJPHAKVCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S2/c1-21(12-13-23-18-6-3-2-4-7-18)19(22)16-8-10-17(11-9-16)20-24-14-5-15-25-20/h2-4,6-11,20H,5,12-15H2,1H3.
What are the key properties of 4-(1,3-dithian-2-yl)-N-methyl-N-(2-phenoxyethyl)benzamide?
4-(1,3-dithian-2-yl)-N-methyl-N-(2-phenoxyethyl)benzamide has a molecular weight of 373.54 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithian-2-yl)-N-methyl-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 86906475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).