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

C23H21N3O5S — CID 45499761

IUPACN-(2,5-dimethoxyphenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
SMILESCOc1ccc(-c2csc3c(=O)n(CC(=O)Nc4cc(OC)ccc4OC)cnc23)cc1
InChIInChI=1S/C23H21N3O5S/c1-29-15-6-4-14(5-7-15)17-12-32-22-21(17)24-13-26(23(22)28)11-20(27)25-18-10-16(30-2)8-9-19(18)31-3/h4-10,12-13H,11H2,1-3H3,(H,25,27)
InChIKeyYOAHDLLIHLTMNU-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.79
Rot. Bonds7

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

N-(2,5-dimethoxyphenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide (PubChem CID 45499761) has the molecular formula C23H21N3O5S and a molecular weight of 451.50 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
PubChem CID45499761
Molecular FormulaC23H21N3O5S
Molecular Weight451.50 g/mol
Exact Mass451.12
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
SMILESCOc1ccc(-c2csc3c(=O)n(CC(=O)Nc4cc(OC)ccc4OC)cnc23)cc1
InChIInChI=1S/C23H21N3O5S/c1-29-15-6-4-14(5-7-15)17-12-32-22-21(17)24-13-26(23(22)28)11-20(27)25-18-10-16(30-2)8-9-19(18)31-3/h4-10,12-13H,11H2,1-3H3,(H,25,27)
InChIKeyYOAHDLLIHLTMNU-UHFFFAOYSA-N
XLogP3.79
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45499723
N-(5-chloro-2,4-dimethoxyphenyl)-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45498814
N-(3,5-dimethoxyphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
CID 30849747
N-(2,5-dimethoxyphenyl)-2-[3-(4-fluorophenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 50841554
N-[(4-methoxyphenyl)methyl]-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45498403
N-(2,5-dimethoxyphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50841617
ethyl 2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
CID 30849928
N-(2,5-dimethoxyphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 27375270
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 40883398
N-[(2-methoxyphenyl)methyl]-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45498401
N-(2,5-dimethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1194083
N-(5-fluoro-2-methylphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
CID 30849624

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide (CID 45499761) is N-(2,5-dimethoxyphenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide is COc1ccc(-c2csc3c(=O)n(CC(=O)Nc4cc(OC)ccc4OC)cnc23)cc1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
The InChIKey is YOAHDLLIHLTMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S/c1-29-15-6-4-14(5-7-15)17-12-32-22-21(17)24-13-26(23(22)28)11-20(27)25-18-10-16(30-2)8-9-19(18)31-3/h4-10,12-13H,11H2,1-3H3,(H,25,27).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide has a molecular weight of 451.50 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 45499761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).