2-[3-(2-methylphenyl)-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide

C24H18N4O3S2 — CID 16591322

IUPAC2-[3-(2-methylphenyl)-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide
SMILESCc1ccccc1-n1c(SCC(=O)Nc2ccon2)nc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C24H18N4O3S2/c1-15-7-5-6-10-18(15)28-23(30)17-13-19(16-8-3-2-4-9-16)33-22(17)26-24(28)32-14-21(29)25-20-11-12-31-27-20/h2-13H,14H2,1H3,(H,25,27,29)
InChIKeyVSHWVDQCJKRQQS-UHFFFAOYSA-N
MW474.57 g/mol
LogP5.14
Rot. Bonds6

About 2-[3-(2-methylphenyl)-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide

2-[3-(2-methylphenyl)-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 16591322) has the molecular formula C24H18N4O3S2 and a molecular weight of 474.57 g/mol. Its IUPAC name is 2-[3-(2-methylphenyl)-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2-methylphenyl)-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide
PubChem CID16591322
Molecular FormulaC24H18N4O3S2
Molecular Weight474.57 g/mol
Exact Mass474.08
IUPAC Name2-[3-(2-methylphenyl)-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide
SMILESCc1ccccc1-n1c(SCC(=O)Nc2ccon2)nc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C24H18N4O3S2/c1-15-7-5-6-10-18(15)28-23(30)17-13-19(16-8-3-2-4-9-16)33-22(17)26-24(28)32-14-21(29)25-20-11-12-31-27-20/h2-13H,14H2,1H3,(H,25,27,29)
InChIKeyVSHWVDQCJKRQQS-UHFFFAOYSA-N
XLogP5.14
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.57
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-carbamoyl-3-[3-(2-methylphenyl)-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide
CID 24587303
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-(2-methylphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 24576324
N-(1,2-oxazol-3-yl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17424882
N-(furan-2-ylmethyl)-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2567762
N-(2,6-dichlorophenyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 23961826
N-benzyl-2-[3-(2-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 42794291
2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772562
2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2085698
2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 24573268
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35475828
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-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 35772636

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylphenyl)-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[3-(2-methylphenyl)-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide (CID 16591322) is 2-[3-(2-methylphenyl)-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-(2-methylphenyl)-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[3-(2-methylphenyl)-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide is Cc1ccccc1-n1c(SCC(=O)Nc2ccon2)nc2sc(-c3ccccc3)cc2c1=O.
What is the InChIKey of 2-[3-(2-methylphenyl)-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is VSHWVDQCJKRQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3S2/c1-15-7-5-6-10-18(15)28-23(30)17-13-19(16-8-3-2-4-9-16)33-22(17)26-24(28)32-14-21(29)25-20-11-12-31-27-20/h2-13H,14H2,1H3,(H,25,27,29).
What are the key properties of 2-[3-(2-methylphenyl)-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide?
2-[3-(2-methylphenyl)-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 474.57 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylphenyl)-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 16591322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).