2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(2-methylsulfanylphenyl)acetamide

C21H28N2O3S — CID 18151902

IUPAC2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCCOc1ccc(CN(CC)CC(=O)Nc2ccccc2SC)cc1OC
InChIInChI=1S/C21H28N2O3S/c1-5-23(14-16-11-12-18(26-6-2)19(13-16)25-3)15-21(24)22-17-9-7-8-10-20(17)27-4/h7-13H,5-6,14-15H2,1-4H3,(H,22,24)
InChIKeyQQLPYDLYQOHSSM-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.28
Rot. Bonds10

About 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(2-methylsulfanylphenyl)acetamide

2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 18151902) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID18151902
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCCOc1ccc(CN(CC)CC(=O)Nc2ccccc2SC)cc1OC
InChIInChI=1S/C21H28N2O3S/c1-5-23(14-16-11-12-18(26-6-2)19(13-16)25-3)15-21(24)22-17-9-7-8-10-20(17)27-4/h7-13H,5-6,14-15H2,1-4H3,(H,22,24)
InChIKeyQQLPYDLYQOHSSM-UHFFFAOYSA-N
XLogP4.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18151887
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18229693
N-(2-chloro-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18151896
N-(2-tert-butylphenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide
CID 30752726
2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16620475
2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(4-methyl-2-nitrophenyl)acetamide
CID 16962761
ethyl 4-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]amino]benzoate
CID 16608706
N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 16608734
N-cyclopropyl-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 31691063
2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-N-(2-methylphenyl)acetamide
CID 8744955
3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide
CID 55482070
N-(2,6-dichloro-3-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 16620409

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(2-methylsulfanylphenyl)acetamide (CID 18151902) is 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(2-methylsulfanylphenyl)acetamide is CCOc1ccc(CN(CC)CC(=O)Nc2ccccc2SC)cc1OC.
What is the InChIKey of 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is QQLPYDLYQOHSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-5-23(14-16-11-12-18(26-6-2)19(13-16)25-3)15-21(24)22-17-9-7-8-10-20(17)27-4/h7-13H,5-6,14-15H2,1-4H3,(H,22,24).
What are the key properties of 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(2-methylsulfanylphenyl)acetamide?
2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 388.53 g/mol, XLogP of 4.28, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 18151902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).