N-(2,5-dimethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C18H19N3O4S — CID 1194083

IUPACN-(2,5-dimethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1cc2c(=O)n(CC(=O)Nc3cc(OC)ccc3OC)cnc2s1
InChIInChI=1S/C18H19N3O4S/c1-4-12-8-13-17(26-12)19-10-21(18(13)23)9-16(22)20-14-7-11(24-2)5-6-15(14)25-3/h5-8,10H,4,9H2,1-3H3,(H,20,22)
InChIKeyWEHSVCRRYVAWTH-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.68
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-(2,5-dimethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 1194083) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID1194083
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1cc2c(=O)n(CC(=O)Nc3cc(OC)ccc3OC)cnc2s1
InChIInChI=1S/C18H19N3O4S/c1-4-12-8-13-17(26-12)19-10-21(18(13)23)9-16(22)20-14-7-11(24-2)5-6-15(14)25-3/h5-8,10H,4,9H2,1-3H3,(H,20,22)
InChIKeyWEHSVCRRYVAWTH-UHFFFAOYSA-N
XLogP2.68
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 35380372
N-(2,5-dimethoxyphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064295
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 5451930
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 78814974
N-[(3,4-dimethylphenyl)carbamoyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 33086255
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 36707086
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 18203122
N-(2,5-dimethoxyphenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 3237928
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 18203087
N-(2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7243625
N-benzyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 733717
N-(2,5-dimethoxyphenyl)-2-[1-(2,3-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 18572447

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 1194083) is N-(2,5-dimethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is CCc1cc2c(=O)n(CC(=O)Nc3cc(OC)ccc3OC)cnc2s1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is WEHSVCRRYVAWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-4-12-8-13-17(26-12)19-10-21(18(13)23)9-16(22)20-14-7-11(24-2)5-6-15(14)25-3/h5-8,10H,4,9H2,1-3H3,(H,20,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-(2,5-dimethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 373.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 1194083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).