N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide

C21H16N2O4S — CID 30732238

IUPACN-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3nc(-c4ccc5c(c4)OCO5)cs3)coc2c1
InChIInChI=1S/C21H16N2O4S/c1-12-2-4-15-14(9-25-18(15)6-12)8-20(24)23-21-22-16(10-28-21)13-3-5-17-19(7-13)27-11-26-17/h2-7,9-10H,8,11H2,1H3,(H,22,23,24)
InChIKeyUOMGONAIYILYGS-UHFFFAOYSA-N
MW392.44 g/mol
LogP4.77
Rot. Bonds4

About N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 30732238) has the molecular formula C21H16N2O4S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID30732238
Molecular FormulaC21H16N2O4S
Molecular Weight392.44 g/mol
Exact Mass392.08
IUPAC NameN-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3nc(-c4ccc5c(c4)OCO5)cs3)coc2c1
InChIInChI=1S/C21H16N2O4S/c1-12-2-4-15-14(9-25-18(15)6-12)8-20(24)23-21-22-16(10-28-21)13-3-5-17-19(7-13)27-11-26-17/h2-7,9-10H,8,11H2,1H3,(H,22,23,24)
InChIKeyUOMGONAIYILYGS-UHFFFAOYSA-N
XLogP4.77
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 7596889
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 18198225
2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2598479
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 30726086
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16911259
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 18586909
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 17471800
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide
CID 55388449
2-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 41107572
2-(4-acetylphenoxy)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 17430597
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 2329444
4-amino-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119268544

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide (CID 30732238) is N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)Nc3nc(-c4ccc5c(c4)OCO5)cs3)coc2c1.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is UOMGONAIYILYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4S/c1-12-2-4-15-14(9-25-18(15)6-12)8-20(24)23-21-22-16(10-28-21)13-3-5-17-19(7-13)27-11-26-17/h2-7,9-10H,8,11H2,1H3,(H,22,23,24).
What are the key properties of N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide?
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 392.44 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 30732238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).