2-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide

C20H21NO4S — CID 121133418

IUPAC2-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2ccc(C(O)c3ccco3)s2)cc1
InChIInChI=1S/C20H21NO4S/c1-2-24-15-7-5-14(6-8-15)12-19(22)21-13-16-9-10-18(26-16)20(23)17-4-3-11-25-17/h3-11,20,23H,2,12-13H2,1H3,(H,21,22)
InChIKeyBZCQNQYMDWKBMY-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.68
Rot. Bonds8

About 2-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide

2-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide (PubChem CID 121133418) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide
PubChem CID121133418
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Name2-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2ccc(C(O)c3ccco3)s2)cc1
InChIInChI=1S/C20H21NO4S/c1-2-24-15-7-5-14(6-8-15)12-19(22)21-13-16-9-10-18(26-16)20(23)17-4-3-11-25-17/h3-11,20,23H,2,12-13H2,1H3,(H,21,22)
InChIKeyBZCQNQYMDWKBMY-UHFFFAOYSA-N
XLogP3.68
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide
CID 121133625
N-[2,2-bis(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 131702564
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 121133399
4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 99873348
1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 99873436
2-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17172905
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 108539017
2-(1,3-dioxoisoindol-2-yl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide
CID 121133461
2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 121133443
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 121134188
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(2-methylphenyl)oxamide
CID 121133602
3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 19225996

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide (CID 121133418) is 2-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide is CCOc1ccc(CC(=O)NCc2ccc(C(O)c3ccco3)s2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is BZCQNQYMDWKBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-2-24-15-7-5-14(6-8-15)12-19(22)21-13-16-9-10-18(26-16)20(23)17-4-3-11-25-17/h3-11,20,23H,2,12-13H2,1H3,(H,21,22).
What are the key properties of 2-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide?
2-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 371.46 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 121133418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).