2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide

C25H28N4O3S — CID 16618566

IUPAC2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccc(CN(CC)CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)cc1OC
InChIInChI=1S/C25H28N4O3S/c1-4-29(14-17-10-11-22(32-5-2)23(12-17)31-3)15-24(30)28-25-27-21(16-33-25)19-13-26-20-9-7-6-8-18(19)20/h6-13,16,26H,4-5,14-15H2,1-3H3,(H,27,28,30)
InChIKeyJXQNGZBHNRGWAF-UHFFFAOYSA-N
MW464.59 g/mol
LogP5.16
Rot. Bonds10

About 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide

2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 16618566) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID16618566
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC Name2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccc(CN(CC)CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)cc1OC
InChIInChI=1S/C25H28N4O3S/c1-4-29(14-17-10-11-22(32-5-2)23(12-17)31-3)15-24(30)28-25-27-21(16-33-25)19-13-26-20-9-7-6-8-18(19)20/h6-13,16,26H,4-5,14-15H2,1-3H3,(H,27,28,30)
InChIKeyJXQNGZBHNRGWAF-UHFFFAOYSA-N
XLogP5.16
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.59
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 8839526
2-(4-fluorophenyl)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 51535850
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide
CID 55413859
2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 18151902
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 55446124
3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide
CID 167861370
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-(2,3-dimethylphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18151887
2-(3,4-diethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 71713490
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 8694916
2-(4-cyanophenoxy)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 8839559

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide (CID 16618566) is 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide is CCOc1ccc(CN(CC)CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)cc1OC.
What is the InChIKey of 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is JXQNGZBHNRGWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-4-29(14-17-10-11-22(32-5-2)23(12-17)31-3)15-24(30)28-25-27-21(16-33-25)19-13-26-20-9-7-6-8-18(19)20/h6-13,16,26H,4-5,14-15H2,1-3H3,(H,27,28,30).
What are the key properties of 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 464.59 g/mol, XLogP of 5.16, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 16618566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).