2-(4-ethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide

C18H19N3O3S — CID 135857864

IUPAC2-(4-ethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
SMILESCCc1ccc(OCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1
InChIInChI=1S/C18H19N3O3S/c1-3-12-4-6-13(7-5-12)24-11-16(22)21(2)10-15-19-14-8-9-25-17(14)18(23)20-15/h4-9H,3,10-11H2,1-2H3,(H,19,20,23)
InChIKeyQWXKZCRAPINDOU-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.58
Rot. Bonds6

About 2-(4-ethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide

2-(4-ethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide (PubChem CID 135857864) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
PubChem CID135857864
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-(4-ethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
SMILESCCc1ccc(OCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1
InChIInChI=1S/C18H19N3O3S/c1-3-12-4-6-13(7-5-12)24-11-16(22)21(2)10-15-19-14-8-9-25-17(14)18(23)20-15/h4-9H,3,10-11H2,1-2H3,(H,19,20,23)
InChIKeyQWXKZCRAPINDOU-UHFFFAOYSA-N
XLogP2.58
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one
CID 951414
3,4-Dihydro-N-[(3-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidine-2-carboxamide
CID 136379658
N-(2-methoxy-5-methylphenyl)-2-(6-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 989903
N-(2-furylmethyl)-2-{[3-(4-methoxybenzyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]thio}acetamide
CID 3239088
N-(3-aminopropyl)-N-[1-[3-[(4-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]propyl]-4-methylbenzamide
CID 54757211
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-4-methoxybenzamide
CID 54758035
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]furan-2-carboxamide
CID 54758125
2-(2-Propoxy-phenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135513834
2-{[3-(4-methoxybenzyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
CID 4557409
(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 135915046
N-(3-aminopropyl)-N-[1-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 54758217
2-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136132244

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide (CID 135857864) is 2-(4-ethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide is CCc1ccc(OCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide?
The InChIKey is QWXKZCRAPINDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-3-12-4-6-13(7-5-12)24-11-16(22)21(2)10-15-19-14-8-9-25-17(14)18(23)20-15/h4-9H,3,10-11H2,1-2H3,(H,19,20,23).
What are the key properties of 2-(4-ethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide?
2-(4-ethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 135857864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).