N-(4-cyanophenyl)-2-[5-ethyl-3-(4-methoxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide

C26H24N4O3S2 — CID 2505678

IUPACN-(4-cyanophenyl)-2-[5-ethyl-3-(4-methoxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SMILESCCc1c(C)sc2nc(SCC(=O)Nc3ccc(C#N)cc3)n(-c3ccc(OC)cc3C)c(=O)c12
InChIInChI=1S/C26H24N4O3S2/c1-5-20-16(3)35-24-23(20)25(32)30(21-11-10-19(33-4)12-15(21)2)26(29-24)34-14-22(31)28-18-8-6-17(13-27)7-9-18/h6-12H,5,14H2,1-4H3,(H,28,31)
InChIKeyQQIADJMFZORJHT-UHFFFAOYSA-N
MW504.64 g/mol
LogP5.24
Rot. Bonds7

About N-(4-cyanophenyl)-2-[5-ethyl-3-(4-methoxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide

N-(4-cyanophenyl)-2-[5-ethyl-3-(4-methoxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide (PubChem CID 2505678) has the molecular formula C26H24N4O3S2 and a molecular weight of 504.64 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[5-ethyl-3-(4-methoxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[5-ethyl-3-(4-methoxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
PubChem CID2505678
Molecular FormulaC26H24N4O3S2
Molecular Weight504.64 g/mol
Exact Mass504.13
IUPAC NameN-(4-cyanophenyl)-2-[5-ethyl-3-(4-methoxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SMILESCCc1c(C)sc2nc(SCC(=O)Nc3ccc(C#N)cc3)n(-c3ccc(OC)cc3C)c(=O)c12
InChIInChI=1S/C26H24N4O3S2/c1-5-20-16(3)35-24-23(20)25(32)30(21-11-10-19(33-4)12-15(21)2)26(29-24)34-14-22(31)28-18-8-6-17(13-27)7-9-18/h6-12H,5,14H2,1-4H3,(H,28,31)
InChIKeyQQIADJMFZORJHT-UHFFFAOYSA-N
XLogP5.24
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.64
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4-cyanophenyl)-2-[5-ethyl-3-(4-methoxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide 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

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
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
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
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
5-ethyl-3-(4-methoxy-2-methylphenyl)-6-methyl-2-(2-oxooxolan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one
CID 42887011
2-[3-(4-ethylphenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 1021192
N-(4-cyanophenyl)-2-[[11-(4-methylphenyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetamide
CID 112780688
N-(4-cyanophenyl)-2-[[3-(2-fluorophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 4029461
N-(3-methoxyphenyl)-2-[[4-(2-methylphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl]sulfanyl]acetamide
CID 2383356
2-[3-(4-ethylphenyl)-5-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 126122463
2-[3-(4-ethoxyphenyl)-5-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 126118726
N-(4-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 1384585

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[5-ethyl-3-(4-methoxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[5-ethyl-3-(4-methoxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide (CID 2505678) is N-(4-cyanophenyl)-2-[5-ethyl-3-(4-methoxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[5-ethyl-3-(4-methoxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[5-ethyl-3-(4-methoxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide is CCc1c(C)sc2nc(SCC(=O)Nc3ccc(C#N)cc3)n(-c3ccc(OC)cc3C)c(=O)c12.
What is the InChIKey of N-(4-cyanophenyl)-2-[5-ethyl-3-(4-methoxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is QQIADJMFZORJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S2/c1-5-20-16(3)35-24-23(20)25(32)30(21-11-10-19(33-4)12-15(21)2)26(29-24)34-14-22(31)28-18-8-6-17(13-27)7-9-18/h6-12H,5,14H2,1-4H3,(H,28,31).
What are the key properties of N-(4-cyanophenyl)-2-[5-ethyl-3-(4-methoxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
N-(4-cyanophenyl)-2-[5-ethyl-3-(4-methoxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 504.64 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[5-ethyl-3-(4-methoxy-2-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 2505678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).