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

C25H25N3O5S — CID 12004750

IUPACN-(3,5-dimethoxyphenyl)-2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide
SMILESCOc1cc(NC(=O)Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3c(C)c(C)sc32)cc(OC)c1
InChIInChI=1S/C25H25N3O5S/c1-14-7-6-8-18(9-14)28-23(30)22-15(2)16(3)34-24(22)27(25(28)31)13-21(29)26-17-10-19(32-4)12-20(11-17)33-5/h6-12H,13H2,1-5H3,(H,26,29)
InChIKeyGDBFXSVSYBXMKK-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.80
Rot. Bonds6

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

N-(3,5-dimethoxyphenyl)-2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide (PubChem CID 12004750) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide
PubChem CID12004750
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide
SMILESCOc1cc(NC(=O)Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3c(C)c(C)sc32)cc(OC)c1
InChIInChI=1S/C25H25N3O5S/c1-14-7-6-8-18(9-14)28-23(30)22-15(2)16(3)34-24(22)27(25(28)31)13-21(29)26-17-10-19(32-4)12-20(11-17)33-5/h6-12H,13H2,1-5H3,(H,26,29)
InChIKeyGDBFXSVSYBXMKK-UHFFFAOYSA-N
XLogP3.80
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide (CID 12004750) is N-(3,5-dimethoxyphenyl)-2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide is COc1cc(NC(=O)Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3c(C)c(C)sc32)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide?
The InChIKey is GDBFXSVSYBXMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-14-7-6-8-18(9-14)28-23(30)22-15(2)16(3)34-24(22)27(25(28)31)13-21(29)26-17-10-19(32-4)12-20(11-17)33-5/h6-12H,13H2,1-5H3,(H,26,29).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide has a molecular weight of 479.56 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 12004750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).