N-(3,5-dimethoxyphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide

C22H19N3O4S — CID 30849747

IUPACN-(3,5-dimethoxyphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2cnc3c(-c4ccccc4)csc3c2=O)cc(OC)c1
InChIInChI=1S/C22H19N3O4S/c1-28-16-8-15(9-17(10-16)29-2)24-19(26)11-25-13-23-20-18(12-30-21(20)22(25)27)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H,24,26)
InChIKeyVGUUWQVHSWURFC-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.78
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide

N-(3,5-dimethoxyphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 30849747) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID30849747
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2cnc3c(-c4ccccc4)csc3c2=O)cc(OC)c1
InChIInChI=1S/C22H19N3O4S/c1-28-16-8-15(9-17(10-16)29-2)24-19(26)11-25-13-23-20-18(12-30-21(20)22(25)27)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H,24,26)
InChIKeyVGUUWQVHSWURFC-UHFFFAOYSA-N
XLogP3.78
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methylsulfanylphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
CID 30849647
ethyl 3-[[2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate
CID 30849651
N-(2,5-dimethoxyphenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45499761
N-(5-fluoro-2-methylphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
CID 30849624
N-(2-chloro-4-fluorophenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45499723
N-[(2-methoxyphenyl)methyl]-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45498401
N-(4-bromophenyl)-2-[7-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45499007
N-[(4-methoxyphenyl)methyl]-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45498403
N-(5-chloro-2,4-dimethoxyphenyl)-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45498814
ethyl 2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
CID 30849928
N-(4-butylphenyl)-2-[7-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45499033
2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30850230

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide (CID 30849747) is N-(3,5-dimethoxyphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide is COc1cc(NC(=O)Cn2cnc3c(-c4ccccc4)csc3c2=O)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is VGUUWQVHSWURFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-28-16-8-15(9-17(10-16)29-2)24-19(26)11-25-13-23-20-18(12-30-21(20)22(25)27)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H,24,26).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide?
N-(3,5-dimethoxyphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 421.48 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 30849747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).