N-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide

C23H21N3O4S2 — CID 4557409

IUPACN-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
SMILESCOc1ccc(Cn2c(SCC(=O)Nc3ccccc3OC)nc3ccsc3c2=O)cc1
InChIInChI=1S/C23H21N3O4S2/c1-29-16-9-7-15(8-10-16)13-26-22(28)21-18(11-12-31-21)25-23(26)32-14-20(27)24-17-5-3-4-6-19(17)30-2/h3-12H,13-14H2,1-2H3,(H,24,27)
InChIKeyOUYUKDIQEILOHN-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.25
Rot. Bonds8

About N-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide

N-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide (PubChem CID 4557409) has the molecular formula C23H21N3O4S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
PubChem CID4557409
Molecular FormulaC23H21N3O4S2
Molecular Weight467.57 g/mol
Exact Mass467.10
IUPAC NameN-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
SMILESCOc1ccc(Cn2c(SCC(=O)Nc3ccccc3OC)nc3ccsc3c2=O)cc1
InChIInChI=1S/C23H21N3O4S2/c1-29-16-9-7-15(8-10-16)13-26-22(28)21-18(11-12-31-21)25-23(26)32-14-20(27)24-17-5-3-4-6-19(17)30-2/h3-12H,13-14H2,1-2H3,(H,24,27)
InChIKeyOUYUKDIQEILOHN-UHFFFAOYSA-N
XLogP4.25
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide (CID 4557409) is N-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide is COc1ccc(Cn2c(SCC(=O)Nc3ccccc3OC)nc3ccsc3c2=O)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is OUYUKDIQEILOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S2/c1-29-16-9-7-15(8-10-16)13-26-22(28)21-18(11-12-31-21)25-23(26)32-14-20(27)24-17-5-3-4-6-19(17)30-2/h3-12H,13-14H2,1-2H3,(H,24,27).
What are the key properties of N-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide?
N-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 467.57 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 4557409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).