2-[5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide

C25H25N3O4S2 — CID 2553271

IUPAC2-[5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCCc1c(C)sc2nc(SCC(=O)Nc3ccccc3OC)n(-c3ccc(O)cc3C)c(=O)c12
InChIInChI=1S/C25H25N3O4S2/c1-5-17-15(3)34-23-22(17)24(31)28(19-11-10-16(29)12-14(19)2)25(27-23)33-13-21(30)26-18-8-6-7-9-20(18)32-4/h6-12,29H,5,13H2,1-4H3,(H,26,30)
InChIKeyNWGAUPFCFVAJIX-UHFFFAOYSA-N
MW495.63 g/mol
LogP5.07
Rot. Bonds7

About 2-[5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide

2-[5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide (PubChem CID 2553271) has the molecular formula C25H25N3O4S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is 2-[5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
PubChem CID2553271
Molecular FormulaC25H25N3O4S2
Molecular Weight495.63 g/mol
Exact Mass495.13
IUPAC Name2-[5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCCc1c(C)sc2nc(SCC(=O)Nc3ccccc3OC)n(-c3ccc(O)cc3C)c(=O)c12
InChIInChI=1S/C25H25N3O4S2/c1-5-17-15(3)34-23-22(17)24(31)28(19-11-10-16(29)12-14(19)2)25(27-23)33-13-21(30)26-18-8-6-7-9-20(18)32-4/h6-12,29H,5,13H2,1-4H3,(H,26,30)
InChIKeyNWGAUPFCFVAJIX-UHFFFAOYSA-N
XLogP5.07
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dichlorophenyl)-2-[5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 2556927
2-[5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(3-fluorophenyl)acetamide
CID 2562606
N-(4-cyanophenyl)-2-[5-ethyl-3-(4-methoxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 2505678
2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 21380515
2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1076148
N-(2-ethoxyphenyl)-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 44641076
2-(1-cyclohexyl-5-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 135645170
2-[7-chloro-3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 42986269
2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanyl-5-ethyl-3-(4-methoxy-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-one
CID 2394476
2-(5-ethyl-2,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 3218900
N-(2-methoxy-5-methylphenyl)-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 4853161
methyl 2-[[2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate
CID 2961773

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide (CID 2553271) is 2-[5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide is CCc1c(C)sc2nc(SCC(=O)Nc3ccccc3OC)n(-c3ccc(O)cc3C)c(=O)c12.
What is the InChIKey of 2-[5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The InChIKey is NWGAUPFCFVAJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S2/c1-5-17-15(3)34-23-22(17)24(31)28(19-11-10-16(29)12-14(19)2)25(27-23)33-13-21(30)26-18-8-6-7-9-20(18)32-4/h6-12,29H,5,13H2,1-4H3,(H,26,30).
What are the key properties of 2-[5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
2-[5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide has a molecular weight of 495.63 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 2553271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).