N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

C20H22N2O4S — CID 43049878

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)Cc1csc(-c2ccco2)n1
InChIInChI=1S/C20H22N2O4S/c1-4-22(12-14-7-8-16(24-2)18(10-14)25-3)19(23)11-15-13-27-20(21-15)17-6-5-9-26-17/h5-10,13H,4,11-12H2,1-3H3
InChIKeyYRAJCURXXAYSJU-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.01
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 43049878) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID43049878
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)Cc1csc(-c2ccco2)n1
InChIInChI=1S/C20H22N2O4S/c1-4-22(12-14-7-8-16(24-2)18(10-14)25-3)19(23)11-15-13-27-20(21-15)17-6-5-9-26-17/h5-10,13H,4,11-12H2,1-3H3
InChIKeyYRAJCURXXAYSJU-UHFFFAOYSA-N
XLogP4.01
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 46546819
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 31011595
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 55387721
3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 61007308
N-ethyl-N-(furan-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide
CID 51087932
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide
CID 78808448
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 24665287
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55542035
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 32762869
1-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 33225688
1-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 33225684
2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 62798203

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (CID 43049878) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cc1csc(-c2ccco2)n1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is YRAJCURXXAYSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-4-22(12-14-7-8-16(24-2)18(10-14)25-3)19(23)11-15-13-27-20(21-15)17-6-5-9-26-17/h5-10,13H,4,11-12H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 386.47 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 43049878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).