2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide

C17H17N3O3S — CID 3362111

IUPAC2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide
SMILESCc1cccc(-n2c(=O)c3c(C)c(C)sc3n(CC(N)=O)c2=O)c1
InChIInChI=1S/C17H17N3O3S/c1-9-5-4-6-12(7-9)20-15(22)14-10(2)11(3)24-16(14)19(17(20)23)8-13(18)21/h4-7H,8H2,1-3H3,(H2,18,21)
InChIKeyZQFUQXBWHJNNMW-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.62
Rot. Bonds3

About 2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide

2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide (PubChem CID 3362111) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide
PubChem CID3362111
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide
SMILESCc1cccc(-n2c(=O)c3c(C)c(C)sc3n(CC(N)=O)c2=O)c1
InChIInChI=1S/C17H17N3O3S/c1-9-5-4-6-12(7-9)20-15(22)14-10(2)11(3)24-16(14)19(17(20)23)8-13(18)21/h4-7H,8H2,1-3H3,(H2,18,21)
InChIKeyZQFUQXBWHJNNMW-UHFFFAOYSA-N
XLogP1.62
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide?
The IUPAC name of 2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide (CID 3362111) is 2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for 2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for 2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide is Cc1cccc(-n2c(=O)c3c(C)c(C)sc3n(CC(N)=O)c2=O)c1.
What is the InChIKey of 2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide?
The InChIKey is ZQFUQXBWHJNNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-9-5-4-6-12(7-9)20-15(22)14-10(2)11(3)24-16(14)19(17(20)23)8-13(18)21/h4-7H,8H2,1-3H3,(H2,18,21).
What are the key properties of 2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide?
2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide has a molecular weight of 343.41 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 3362111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).