2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-N-(2-methylphenyl)acetamide

C24H28N2O3S — CID 8744955

IUPAC2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-N-(2-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1C)Cc1ccc(OCc2cccs2)c(OC)c1
InChIInChI=1S/C24H28N2O3S/c1-4-26(16-24(27)25-21-10-6-5-8-18(21)2)15-19-11-12-22(23(14-19)28-3)29-17-20-9-7-13-30-20/h5-14H,4,15-17H2,1-3H3,(H,25,27)
InChIKeyHENXAEBKHXFXIP-UHFFFAOYSA-N
MW424.57 g/mol
LogP5.10
Rot. Bonds10

About 2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-N-(2-methylphenyl)acetamide

2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-N-(2-methylphenyl)acetamide (PubChem CID 8744955) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is 2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-N-(2-methylphenyl)acetamide
PubChem CID8744955
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC Name2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-N-(2-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1C)Cc1ccc(OCc2cccs2)c(OC)c1
InChIInChI=1S/C24H28N2O3S/c1-4-26(16-24(27)25-21-10-6-5-8-18(21)2)15-19-11-12-22(23(14-19)28-3)29-17-20-9-7-13-30-20/h5-14H,4,15-17H2,1-3H3,(H,25,27)
InChIKeyHENXAEBKHXFXIP-UHFFFAOYSA-N
XLogP5.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.57
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-N-(2-methylphenyl)acetamide with MolForge

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Related Compounds

ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 8744954
N-(2,3-dimethylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18151887
4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide
CID 17468464
2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 18151902
N-(2-tert-butylphenyl)-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide
CID 30752726
N-(5-chloro-2-methoxyphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718180
N-(2,3-dimethylphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8717968
N,N,N'-triethyl-N'-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanediamide
CID 56522009
N-(2-chloro-4-methylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18151896
2-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]-4-methylphthalazin-1-one
CID 30002764
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18229693
4-ethoxy-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 27863365

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-N-(2-methylphenyl)acetamide (CID 8744955) is 2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-N-(2-methylphenyl)acetamide is CCN(CC(=O)Nc1ccccc1C)Cc1ccc(OCc2cccs2)c(OC)c1.
What is the InChIKey of 2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-N-(2-methylphenyl)acetamide?
The InChIKey is HENXAEBKHXFXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-4-26(16-24(27)25-21-10-6-5-8-18(21)2)15-19-11-12-22(23(14-19)28-3)29-17-20-9-7-13-30-20/h5-14H,4,15-17H2,1-3H3,(H,25,27).
What are the key properties of 2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-N-(2-methylphenyl)acetamide?
2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-N-(2-methylphenyl)acetamide has a molecular weight of 424.57 g/mol, XLogP of 5.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 8744955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).