N-(2-ethoxyphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide

C25H25N3O3S2 — CID 27375274

IUPACN-(2-ethoxyphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc2c(-c3ccc(C)cc3)csc2c(=O)n1CC
InChIInChI=1S/C25H25N3O3S2/c1-4-28-24(30)23-22(18(14-32-23)17-12-10-16(3)11-13-17)27-25(28)33-15-21(29)26-19-8-6-7-9-20(19)31-5-2/h6-14H,4-5,15H2,1-3H3,(H,26,29)
InChIKeyNALDLCRNTRMDGH-UHFFFAOYSA-N
MW479.63 g/mol
LogP5.58
Rot. Bonds8

About N-(2-ethoxyphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide

N-(2-ethoxyphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide (PubChem CID 27375274) has the molecular formula C25H25N3O3S2 and a molecular weight of 479.63 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
PubChem CID27375274
Molecular FormulaC25H25N3O3S2
Molecular Weight479.63 g/mol
Exact Mass479.13
IUPAC NameN-(2-ethoxyphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc2c(-c3ccc(C)cc3)csc2c(=O)n1CC
InChIInChI=1S/C25H25N3O3S2/c1-4-28-24(30)23-22(18(14-32-23)17-12-10-16(3)11-13-17)27-25(28)33-15-21(29)26-19-8-6-7-9-20(19)31-5-2/h6-14H,4-5,15H2,1-3H3,(H,26,29)
InChIKeyNALDLCRNTRMDGH-UHFFFAOYSA-N
XLogP5.58
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 27375570
N-(2,4-dimethoxyphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 27375566
N-(2,5-dimethoxyphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 27375270
N-(2-ethyl-6-methylphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 27375258
2-(3-ethyl-4-oxo-7-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 27374571
N-benzyl-2-(3-ethyl-4-oxo-7-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 27374568
N-(3-acetylphenyl)-2-(3-ethyl-4-oxo-7-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 27374642
2-(3-methyl-4-oxo-7-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 27374426
3-ethyl-7-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one
CID 27375562
N-(2,5-dimethylphenyl)-2-(3-methyl-4-oxo-7-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 45499348
N-(1,3-benzodioxol-5-yl)-2-(3-ethyl-4-oxo-7-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 27374639
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-4-oxo-7-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 27375540

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide (CID 27375274) is N-(2-ethoxyphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide is CCOc1ccccc1NC(=O)CSc1nc2c(-c3ccc(C)cc3)csc2c(=O)n1CC.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is NALDLCRNTRMDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S2/c1-4-28-24(30)23-22(18(14-32-23)17-12-10-16(3)11-13-17)27-25(28)33-15-21(29)26-19-8-6-7-9-20(19)31-5-2/h6-14H,4-5,15H2,1-3H3,(H,26,29).
What are the key properties of N-(2-ethoxyphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide?
N-(2-ethoxyphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 479.63 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 27375274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).