N-(1,3-benzothiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide

C19H16N2O3S — CID 51333318

IUPACN-(1,3-benzothiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide
SMILESCOc1ccc2c(CC(=O)N(C)c3nc4ccccc4s3)coc2c1
InChIInChI=1S/C19H16N2O3S/c1-21(19-20-15-5-3-4-6-17(15)25-19)18(22)9-12-11-24-16-10-13(23-2)7-8-14(12)16/h3-8,10-11H,9H2,1-2H3
InChIKeyBHOMEOLBEAKBPM-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.26
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide

N-(1,3-benzothiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide (PubChem CID 51333318) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide
PubChem CID51333318
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide
SMILESCOc1ccc2c(CC(=O)N(C)c3nc4ccccc4s3)coc2c1
InChIInChI=1S/C19H16N2O3S/c1-21(19-20-15-5-3-4-6-17(15)25-19)18(22)9-12-11-24-16-10-13(23-2)7-8-14(12)16/h3-8,10-11H,9H2,1-2H3
InChIKeyBHOMEOLBEAKBPM-UHFFFAOYSA-N
XLogP4.26
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 86858133
2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 55980249
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
N-(1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)sulfanyl-N-methylacetamide
CID 34256508
N-cyclopropyl-2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 17430809
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7480706
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide
CID 2532585
N-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)-N-methylpropanamide
CID 34256400
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)acetamide
CID 8718657
N-benzyl-N-(furan-2-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 37429418
N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-(3-methoxyphenyl)acetamide
CID 2550239

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide (CID 51333318) is N-(1,3-benzothiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide is COc1ccc2c(CC(=O)N(C)c3nc4ccccc4s3)coc2c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide?
The InChIKey is BHOMEOLBEAKBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-21(19-20-15-5-3-4-6-17(15)25-19)18(22)9-12-11-24-16-10-13(23-2)7-8-14(12)16/h3-8,10-11H,9H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide?
N-(1,3-benzothiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide has a molecular weight of 352.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide is sourced from PubChem (CID 51333318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).