N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C19H19N3O3S — CID 87019046

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1cc2c(=O)n(CC(=O)NCC3Cc4ccccc4O3)cnc2s1
InChIInChI=1S/C19H19N3O3S/c1-2-14-8-15-18(26-14)21-11-22(19(15)24)10-17(23)20-9-13-7-12-5-3-4-6-16(12)25-13/h3-6,8,11,13H,2,7,9-10H2,1H3,(H,20,23)
InChIKeyPGSDMKJWWAKENR-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.14
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 87019046) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID87019046
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1cc2c(=O)n(CC(=O)NCC3Cc4ccccc4O3)cnc2s1
InChIInChI=1S/C19H19N3O3S/c1-2-14-8-15-18(26-14)21-11-22(19(15)24)10-17(23)20-9-13-7-12-5-3-4-6-16(12)25-13/h3-6,8,11,13H,2,7,9-10H2,1H3,(H,20,23)
InChIKeyPGSDMKJWWAKENR-UHFFFAOYSA-N
XLogP2.14
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 733717
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 18203223
6-ethyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 8003928
N-(2-bicyclo[1.1.1]pentanyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 164798854
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 94096617
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 92603164
N-[1-(3-chlorophenyl)ethyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18203142
6-ethyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 9145858
methyl 1-[2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxylate
CID 96999490
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 2603996
N-[(3,4-dimethylphenyl)carbamoyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 33086255
3-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-phenylpropanamide
CID 51303590

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 87019046) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is CCc1cc2c(=O)n(CC(=O)NCC3Cc4ccccc4O3)cnc2s1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is PGSDMKJWWAKENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-2-14-8-15-18(26-14)21-11-22(19(15)24)10-17(23)20-9-13-7-12-5-3-4-6-16(12)25-13/h3-6,8,11,13H,2,7,9-10H2,1H3,(H,20,23).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 369.45 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 87019046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).