N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-3-propan-2-ylthieno[3,2-d]pyrimidin-1-yl)acetamide

C19H21N3O5S — CID 39353861

IUPACN-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-3-propan-2-ylthieno[3,2-d]pyrimidin-1-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2c(=O)n(C(C)C)c(=O)c3sccc32)c1
InChIInChI=1S/C19H21N3O5S/c1-11(2)22-18(24)17-14(7-8-28-17)21(19(22)25)10-16(23)20-13-9-12(26-3)5-6-15(13)27-4/h5-9,11H,10H2,1-4H3,(H,20,23)
InChIKeyORGIHNLXCCECMD-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.46
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-3-propan-2-ylthieno[3,2-d]pyrimidin-1-yl)acetamide

N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-3-propan-2-ylthieno[3,2-d]pyrimidin-1-yl)acetamide (PubChem CID 39353861) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-3-propan-2-ylthieno[3,2-d]pyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-3-propan-2-ylthieno[3,2-d]pyrimidin-1-yl)acetamide
PubChem CID39353861
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-3-propan-2-ylthieno[3,2-d]pyrimidin-1-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2c(=O)n(C(C)C)c(=O)c3sccc32)c1
InChIInChI=1S/C19H21N3O5S/c1-11(2)22-18(24)17-14(7-8-28-17)21(19(22)25)10-16(23)20-13-9-12(26-3)5-6-15(13)27-4/h5-9,11H,10H2,1-4H3,(H,20,23)
InChIKeyORGIHNLXCCECMD-UHFFFAOYSA-N
XLogP2.46
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46922674
N-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46922668
N-(2,4-dimethoxyphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486287
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 46922635
N-(5-chloro-2-methoxyphenyl)-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46922656
N-(3,4-dimethoxyphenyl)-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
CID 6486215
N-(5-chloro-2-methoxyphenyl)-2-[3-(3,5-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46924072
N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 22427951
N-(5-chloro-2-methoxyphenyl)-2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 22428113
2-[3-[(2-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 46922842
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46858959
N-(3-chloro-4-methoxyphenyl)-2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46922977

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-3-propan-2-ylthieno[3,2-d]pyrimidin-1-yl)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-3-propan-2-ylthieno[3,2-d]pyrimidin-1-yl)acetamide (CID 39353861) is N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-3-propan-2-ylthieno[3,2-d]pyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-3-propan-2-ylthieno[3,2-d]pyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-3-propan-2-ylthieno[3,2-d]pyrimidin-1-yl)acetamide is COc1ccc(OC)c(NC(=O)Cn2c(=O)n(C(C)C)c(=O)c3sccc32)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-3-propan-2-ylthieno[3,2-d]pyrimidin-1-yl)acetamide?
The InChIKey is ORGIHNLXCCECMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-11(2)22-18(24)17-14(7-8-28-17)21(19(22)25)10-16(23)20-13-9-12(26-3)5-6-15(13)27-4/h5-9,11H,10H2,1-4H3,(H,20,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-3-propan-2-ylthieno[3,2-d]pyrimidin-1-yl)acetamide?
N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-3-propan-2-ylthieno[3,2-d]pyrimidin-1-yl)acetamide has a molecular weight of 403.46 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-3-propan-2-ylthieno[3,2-d]pyrimidin-1-yl)acetamide is sourced from PubChem (CID 39353861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).