N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide

C22H23NO4S — CID 162661949

IUPACN-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(CN(C(=O)Cc2cccs2)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C22H23NO4S/c1-25-18-9-6-16(7-10-18)15-23(22(24)14-19-5-4-12-28-19)17-8-11-20(26-2)21(13-17)27-3/h4-13H,14-15H2,1-3H3
InChIKeyYLXARSNFPFJVNX-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.55
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide

N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 162661949) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide
PubChem CID162661949
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC NameN-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(CN(C(=O)Cc2cccs2)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C22H23NO4S/c1-25-18-9-6-16(7-10-18)15-23(22(24)14-19-5-4-12-28-19)17-8-11-20(26-2)21(13-17)27-3/h4-13H,14-15H2,1-3H3
InChIKeyYLXARSNFPFJVNX-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide (CID 162661949) is N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide is COc1ccc(CN(C(=O)Cc2cccs2)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is YLXARSNFPFJVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-25-18-9-6-16(7-10-18)15-23(22(24)14-19-5-4-12-28-19)17-8-11-20(26-2)21(13-17)27-3/h4-13H,14-15H2,1-3H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide?
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 397.50 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 162661949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).