N-(2,6-dimethylphenyl)-2-(3-methyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide

C17H17N3O3S — CID 6486561

IUPACN-(2,6-dimethylphenyl)-2-(3-methyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1c(=O)n(C)c(=O)c2sccc21
InChIInChI=1S/C17H17N3O3S/c1-10-5-4-6-11(2)14(10)18-13(21)9-20-12-7-8-24-15(12)16(22)19(3)17(20)23/h4-8H,9H2,1-3H3,(H,18,21)
InChIKeyMNBLYGUKAPKDRY-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.02
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-(3-methyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide

N-(2,6-dimethylphenyl)-2-(3-methyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide (PubChem CID 6486561) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(3-methyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(3-methyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
PubChem CID6486561
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(2,6-dimethylphenyl)-2-(3-methyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1c(=O)n(C)c(=O)c2sccc21
InChIInChI=1S/C17H17N3O3S/c1-10-5-4-6-11(2)14(10)18-13(21)9-20-12-7-8-24-15(12)16(22)19(3)17(20)23/h4-8H,9H2,1-3H3,(H,18,21)
InChIKeyMNBLYGUKAPKDRY-UHFFFAOYSA-N
XLogP2.02
TPSA73.10 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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dimethylphenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 22428083
2-(3-methyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)-N-(4-methylphenyl)acetamide
CID 6486498
N-(4-butylphenyl)-2-(3-methyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46922573
N-(2,3-dimethylphenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46923955
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46922605
2-[3-[(2-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 50925771
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3-methyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46922582
2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 50926610
2-[3-(3-methylbutyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide
CID 46922766
N-(4-butylphenyl)-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 50926605
2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 50926600
N-(2,5-dimethylphenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46923940

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(3-methyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(3-methyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide (CID 6486561) is N-(2,6-dimethylphenyl)-2-(3-methyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(3-methyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(3-methyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide is Cc1cccc(C)c1NC(=O)Cn1c(=O)n(C)c(=O)c2sccc21.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(3-methyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide?
The InChIKey is MNBLYGUKAPKDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-10-5-4-6-11(2)14(10)18-13(21)9-20-12-7-8-24-15(12)16(22)19(3)17(20)23/h4-8H,9H2,1-3H3,(H,18,21).
What are the key properties of N-(2,6-dimethylphenyl)-2-(3-methyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide?
N-(2,6-dimethylphenyl)-2-(3-methyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(3-methyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide is sourced from PubChem (CID 6486561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).