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

C24H23N3O2S2 — CID 30850198

IUPACN-(3,4-dimethylphenyl)-2-[3-methyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
SMILESCc1ccc(-c2csc3c(=O)n(C)c(SCC(=O)Nc4ccc(C)c(C)c4)nc23)cc1
InChIInChI=1S/C24H23N3O2S2/c1-14-5-8-17(9-6-14)19-12-30-22-21(19)26-24(27(4)23(22)29)31-13-20(28)25-18-10-7-15(2)16(3)11-18/h5-12H,13H2,1-4H3,(H,25,28)
InChIKeyWNVYQUQNTCSWAB-UHFFFAOYSA-N
MW449.60 g/mol
LogP5.32
Rot. Bonds5

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

N-(3,4-dimethylphenyl)-2-[3-methyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide (PubChem CID 30850198) has the molecular formula C24H23N3O2S2 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[3-methyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[3-methyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
PubChem CID30850198
Molecular FormulaC24H23N3O2S2
Molecular Weight449.60 g/mol
Exact Mass449.12
IUPAC NameN-(3,4-dimethylphenyl)-2-[3-methyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
SMILESCc1ccc(-c2csc3c(=O)n(C)c(SCC(=O)Nc4ccc(C)c(C)c4)nc23)cc1
InChIInChI=1S/C24H23N3O2S2/c1-14-5-8-17(9-6-14)19-12-30-22-21(19)26-24(27(4)23(22)29)31-13-20(28)25-18-10-7-15(2)16(3)11-18/h5-12H,13H2,1-4H3,(H,25,28)
InChIKeyWNVYQUQNTCSWAB-UHFFFAOYSA-N
XLogP5.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylphenyl)-2-(3-methyl-4-oxo-7-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 45499348
2-(3-methyl-4-oxo-7-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 45499349
N-(2,6-dimethylphenyl)-2-(3-methyl-4-oxo-7-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 27374445
2-(3-methyl-4-oxo-7-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 27374426
2-[[6-methyl-3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 50841709
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-ethyl-6-methylphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 27375258
N-(2,5-dimethoxyphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 27375270
N-(2,4-dimethoxyphenyl)-2-[3-ethyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 27375566
N-(3,4-dimethylphenyl)-2-[[5-(4,5-dimethylthiophen-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19720812
2-(3-methyl-4-oxo-7-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 27374385
2-[[6-methyl-3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-phenylacetamide
CID 50841468

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[3-methyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[3-methyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide (CID 30850198) is N-(3,4-dimethylphenyl)-2-[3-methyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[3-methyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[3-methyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide is Cc1ccc(-c2csc3c(=O)n(C)c(SCC(=O)Nc4ccc(C)c(C)c4)nc23)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[3-methyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is WNVYQUQNTCSWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S2/c1-14-5-8-17(9-6-14)19-12-30-22-21(19)26-24(27(4)23(22)29)31-13-20(28)25-18-10-7-15(2)16(3)11-18/h5-12H,13H2,1-4H3,(H,25,28).
What are the key properties of N-(3,4-dimethylphenyl)-2-[3-methyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide?
N-(3,4-dimethylphenyl)-2-[3-methyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 449.60 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[3-methyl-7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 30850198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).