2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(4-ethylphenyl)acetamide

C18H19N3O2S2 — CID 45076666

IUPAC2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CSc2cc3c(=O)n(C)c(C)nc3s2)cc1
InChIInChI=1S/C18H19N3O2S2/c1-4-12-5-7-13(8-6-12)20-15(22)10-24-16-9-14-17(25-16)19-11(2)21(3)18(14)23/h5-9H,4,10H2,1-3H3,(H,20,22)
InChIKeyWTBOEFKBRAPJCR-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.60
Rot. Bonds5

About 2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(4-ethylphenyl)acetamide

2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(4-ethylphenyl)acetamide (PubChem CID 45076666) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(4-ethylphenyl)acetamide
PubChem CID45076666
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CSc2cc3c(=O)n(C)c(C)nc3s2)cc1
InChIInChI=1S/C18H19N3O2S2/c1-4-12-5-7-13(8-6-12)20-15(22)10-24-16-9-14-17(25-16)19-11(2)21(3)18(14)23/h5-9H,4,10H2,1-3H3,(H,20,22)
InChIKeyWTBOEFKBRAPJCR-UHFFFAOYSA-N
XLogP3.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 45076654
N-(5-chloro-2-methylphenyl)-2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanylacetamide
CID 45076627
6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-2,3-dimethylthieno[2,3-d]pyrimidin-4-one
CID 45076668
N-(4-ethylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 23803925
N-(4-ethylphenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
CID 7183888
N-(4-ethylphenyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2661362
N-(4-ethylphenyl)-2-[3-(4-ethylphenyl)-5-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 126119327
2-[3-[2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide
CID 46370273
2-[3-(4-chlorophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 989840
N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47262869
N-(4-ethylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18140067
N-(4-ethylphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941761

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(4-ethylphenyl)acetamide (CID 45076666) is 2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CSc2cc3c(=O)n(C)c(C)nc3s2)cc1.
What is the InChIKey of 2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(4-ethylphenyl)acetamide?
The InChIKey is WTBOEFKBRAPJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-4-12-5-7-13(8-6-12)20-15(22)10-24-16-9-14-17(25-16)19-11(2)21(3)18(14)23/h5-9H,4,10H2,1-3H3,(H,20,22).
What are the key properties of 2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(4-ethylphenyl)acetamide?
2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(4-ethylphenyl)acetamide has a molecular weight of 373.50 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 45076666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).