3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide

C22H23NO4S — CID 8700024

IUPAC3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2cccs2)Cc2ccccc2OC)c1
InChIInChI=1S/C22H23NO4S/c1-25-18-11-17(12-19(13-18)26-2)22(24)23(15-20-8-6-10-28-20)14-16-7-4-5-9-21(16)27-3/h4-13H,14-15H2,1-3H3
InChIKeyCLBQEWYEIITUOY-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.62
Rot. Bonds8

About 3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide

3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 8700024) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID8700024
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC Name3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2cccs2)Cc2ccccc2OC)c1
InChIInChI=1S/C22H23NO4S/c1-25-18-11-17(12-19(13-18)26-2)22(24)23(15-20-8-6-10-28-20)14-16-7-4-5-9-21(16)27-3/h4-13H,14-15H2,1-3H3
InChIKeyCLBQEWYEIITUOY-UHFFFAOYSA-N
XLogP4.62
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 8891705
2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 112795014
N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 55333106
N-[(2-methoxyphenyl)methyl]-6-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 31119902
2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 31511205
3-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 119268847
N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 119685026
2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide
CID 112795027
(E)-3-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 8700034
3-(diethylsulfamoyl)-4-fluoro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 55332989
N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 47074235

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide (CID 8700024) is 3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide is COc1cc(OC)cc(C(=O)N(Cc2cccs2)Cc2ccccc2OC)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is CLBQEWYEIITUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-25-18-11-17(12-19(13-18)26-2)22(24)23(15-20-8-6-10-28-20)14-16-7-4-5-9-21(16)27-3/h4-13H,14-15H2,1-3H3.
What are the key properties of 3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide?
3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 397.50 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 8700024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).