N-(2,4-dimethylphenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide

C24H25N3O3S2 — CID 2155326

IUPACN-(2,4-dimethylphenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
SMILESCCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nc3c(c2=O)SCC3)cc1
InChIInChI=1S/C24H25N3O3S2/c1-4-30-18-8-6-17(7-9-18)27-23(29)22-20(11-12-31-22)26-24(27)32-14-21(28)25-19-10-5-15(2)13-16(19)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,25,28)
InChIKeyDXAHEORVJSGENB-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.63
Rot. Bonds7

About N-(2,4-dimethylphenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide

N-(2,4-dimethylphenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 2155326) has the molecular formula C24H25N3O3S2 and a molecular weight of 467.62 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
PubChem CID2155326
Molecular FormulaC24H25N3O3S2
Molecular Weight467.62 g/mol
Exact Mass467.13
IUPAC NameN-(2,4-dimethylphenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
SMILESCCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nc3c(c2=O)SCC3)cc1
InChIInChI=1S/C24H25N3O3S2/c1-4-30-18-8-6-17(7-9-18)27-23(29)22-20(11-12-31-22)26-24(27)32-14-21(28)25-19-10-5-15(2)13-16(19)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,25,28)
InChIKeyDXAHEORVJSGENB-UHFFFAOYSA-N
XLogP4.63
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide (CID 2155326) is N-(2,4-dimethylphenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide is CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nc3c(c2=O)SCC3)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide?
The InChIKey is DXAHEORVJSGENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S2/c1-4-30-18-8-6-17(7-9-18)27-23(29)22-20(11-12-31-22)26-24(27)32-14-21(28)25-19-10-5-15(2)13-16(19)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,25,28).
What are the key properties of N-(2,4-dimethylphenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide?
N-(2,4-dimethylphenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 467.62 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2155326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).