N-[(2-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide

C24H27ClN2O4S — CID 44589750

IUPACN-[(2-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESCOc1ccc(OCCN(CC(=O)NCc2ccccc2Cl)Cc2cccs2)cc1OC
InChIInChI=1S/C24H27ClN2O4S/c1-29-22-10-9-19(14-23(22)30-2)31-12-11-27(16-20-7-5-13-32-20)17-24(28)26-15-18-6-3-4-8-21(18)25/h3-10,13-14H,11-12,15-17H2,1-2H3,(H,26,28)
InChIKeyFCWWAWVGMYGQKB-UHFFFAOYSA-N
MW475.01 g/mol
LogP4.62
Rot. Bonds12

About N-[(2-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide

N-[(2-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 44589750) has the molecular formula C24H27ClN2O4S and a molecular weight of 475.01 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide
PubChem CID44589750
Molecular FormulaC24H27ClN2O4S
Molecular Weight475.01 g/mol
Exact Mass474.14
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESCOc1ccc(OCCN(CC(=O)NCc2ccccc2Cl)Cc2cccs2)cc1OC
InChIInChI=1S/C24H27ClN2O4S/c1-29-22-10-9-19(14-23(22)30-2)31-12-11-27(16-20-7-5-13-32-20)17-24(28)26-15-18-6-3-4-8-21(18)25/h3-10,13-14H,11-12,15-17H2,1-2H3,(H,26,28)
InChIKeyFCWWAWVGMYGQKB-UHFFFAOYSA-N
XLogP4.62
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.01
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide (CID 44589750) is N-[(2-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide is COc1ccc(OCCN(CC(=O)NCc2ccccc2Cl)Cc2cccs2)cc1OC.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is FCWWAWVGMYGQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O4S/c1-29-22-10-9-19(14-23(22)30-2)31-12-11-27(16-20-7-5-13-32-20)17-24(28)26-15-18-6-3-4-8-21(18)25/h3-10,13-14H,11-12,15-17H2,1-2H3,(H,26,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide?
N-[(2-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 475.01 g/mol, XLogP of 4.62, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenoxy)ethyl-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 44589750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).