2-[3-(3,5-dimethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide

C16H15N3O5S — CID 15992329

IUPAC2-[3-(3,5-dimethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
SMILESCOc1cc(OC)cc(-n2c(=O)c3sccc3n(CC(N)=O)c2=O)c1
InChIInChI=1S/C16H15N3O5S/c1-23-10-5-9(6-11(7-10)24-2)19-15(21)14-12(3-4-25-14)18(16(19)22)8-13(17)20/h3-7H,8H2,1-2H3,(H2,17,20)
InChIKeyAYUWZWLRDBYBJC-UHFFFAOYSA-N
MW361.38 g/mol
LogP0.72
Rot. Bonds5

About 2-[3-(3,5-dimethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide

2-[3-(3,5-dimethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide (PubChem CID 15992329) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-[3-(3,5-dimethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
PubChem CID15992329
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC Name2-[3-(3,5-dimethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
SMILESCOc1cc(OC)cc(-n2c(=O)c3sccc3n(CC(N)=O)c2=O)c1
InChIInChI=1S/C16H15N3O5S/c1-23-10-5-9(6-11(7-10)24-2)19-15(21)14-12(3-4-25-14)18(16(19)22)8-13(17)20/h3-7H,8H2,1-2H3,(H2,17,20)
InChIKeyAYUWZWLRDBYBJC-UHFFFAOYSA-N
XLogP0.72
TPSA105.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
The IUPAC name of 2-[3-(3,5-dimethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide (CID 15992329) is 2-[3-(3,5-dimethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(3,5-dimethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for 2-[3-(3,5-dimethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide is COc1cc(OC)cc(-n2c(=O)c3sccc3n(CC(N)=O)c2=O)c1.
What is the InChIKey of 2-[3-(3,5-dimethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
The InChIKey is AYUWZWLRDBYBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-23-10-5-9(6-11(7-10)24-2)19-15(21)14-12(3-4-25-14)18(16(19)22)8-13(17)20/h3-7H,8H2,1-2H3,(H2,17,20).
What are the key properties of 2-[3-(3,5-dimethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide?
2-[3-(3,5-dimethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide has a molecular weight of 361.38 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 15992329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).