2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]acetamide

C16H15N3O3S — CID 6486443

IUPAC2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]acetamide
SMILESNC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21
InChIInChI=1S/C16H15N3O3S/c17-13(20)10-19-12-7-9-23-14(12)15(21)18(16(19)22)8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2,(H2,17,20)
InChIKeyBRYOLVXILXPFGA-UHFFFAOYSA-N
MW329.38 g/mol
LogP0.95
Rot. Bonds5

About 2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]acetamide

2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]acetamide (PubChem CID 6486443) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]acetamide
PubChem CID6486443
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]acetamide
SMILESNC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21
InChIInChI=1S/C16H15N3O3S/c17-13(20)10-19-12-7-9-23-14(12)15(21)18(16(19)22)8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2,(H2,17,20)
InChIKeyBRYOLVXILXPFGA-UHFFFAOYSA-N
XLogP0.95
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486468
2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 6486464
2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]thieno[3,2-d]pyrimidin-1-yl]-N-phenylacetamide
CID 6619256
benzyl 2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetate
CID 22423569
4-[1-(2-amino-2-oxoethyl)-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 15992023
N-(2,3-dichlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]thieno[3,2-d]pyrimidin-1-yl]acetamide
CID 22428217
7-acetyl-6-methoxy-4-(2-phenylethyl)thieno[3,2-b]pyridin-5-one
CID 164950352
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-phenylethyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53011891
1-benzyl-3-(3-methoxypropyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 6486358
2-[3-(3,5-dimethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 15992329
11-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-8-(2-phenylethyl)-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-triene-7,12-dione
CID 53074665
2-[3-[(3-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 46923002

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]acetamide?
The IUPAC name of 2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]acetamide (CID 6486443) is 2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for 2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for 2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]acetamide is NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2sccc21.
What is the InChIKey of 2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]acetamide?
The InChIKey is BRYOLVXILXPFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c17-13(20)10-19-12-7-9-23-14(12)15(21)18(16(19)22)8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2,(H2,17,20).
What are the key properties of 2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]acetamide?
2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]acetamide has a molecular weight of 329.38 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 6486443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).