4-(1,3-dithian-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide

C24H25NO2S2 — CID 9482803

IUPAC4-(1,3-dithian-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
SMILESCOc1ccc2cc(CN(C)C(=O)c3ccc(C4SCCCS4)cc3)ccc2c1
InChIInChI=1S/C24H25NO2S2/c1-25(16-17-4-5-21-15-22(27-2)11-10-20(21)14-17)23(26)18-6-8-19(9-7-18)24-28-12-3-13-29-24/h4-11,14-15,24H,3,12-13,16H2,1-2H3
InChIKeyMBJQZOKTUZKNND-UHFFFAOYSA-N
MW423.60 g/mol
LogP5.99
Rot. Bonds5

About 4-(1,3-dithian-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide

4-(1,3-dithian-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide (PubChem CID 9482803) has the molecular formula C24H25NO2S2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 4-(1,3-dithian-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(1,3-dithian-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
PubChem CID9482803
Molecular FormulaC24H25NO2S2
Molecular Weight423.60 g/mol
Exact Mass423.13
IUPAC Name4-(1,3-dithian-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
SMILESCOc1ccc2cc(CN(C)C(=O)c3ccc(C4SCCCS4)cc3)ccc2c1
InChIInChI=1S/C24H25NO2S2/c1-25(16-17-4-5-21-15-22(27-2)11-10-20(21)14-17)23(26)18-6-8-19(9-7-18)24-28-12-3-13-29-24/h4-11,14-15,24H,3,12-13,16H2,1-2H3
InChIKeyMBJQZOKTUZKNND-UHFFFAOYSA-N
XLogP5.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 26444427
N-[(2,3-dimethoxyphenyl)methyl]-4-(1,3-dithian-2-yl)-N-methylbenzamide
CID 18112066
3-ethoxy-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 43012781
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
4-(1,3-dithian-2-yl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 86906475
3-(dimethylsulfamoyl)-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 46585419
N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethyl-4-nitrobenzamide
CID 9482656
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 8529251
4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide
CID 9482800
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate
CID 9011158
4-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9482810
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 26042498

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithian-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide?
The IUPAC name of 4-(1,3-dithian-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide (CID 9482803) is 4-(1,3-dithian-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(1,3-dithian-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-(1,3-dithian-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide is COc1ccc2cc(CN(C)C(=O)c3ccc(C4SCCCS4)cc3)ccc2c1.
What is the InChIKey of 4-(1,3-dithian-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide?
The InChIKey is MBJQZOKTUZKNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2S2/c1-25(16-17-4-5-21-15-22(27-2)11-10-20(21)14-17)23(26)18-6-8-19(9-7-18)24-28-12-3-13-29-24/h4-11,14-15,24H,3,12-13,16H2,1-2H3.
What are the key properties of 4-(1,3-dithian-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide?
4-(1,3-dithian-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide has a molecular weight of 423.60 g/mol, XLogP of 5.99, 5 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-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 9482803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).