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

C18H19N3O2S2 — CID 45076654

IUPAC2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CSc1cc2c(=O)n(C)c(C)nc2s1
InChIInChI=1S/C18H19N3O2S2/c1-4-12-7-5-6-8-14(12)20-15(22)10-24-16-9-13-17(25-16)19-11(2)21(3)18(13)23/h5-9H,4,10H2,1-3H3,(H,20,22)
InChIKeyJQGWMVUWHSPOLI-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-(2-ethylphenyl)acetamide

2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(2-ethylphenyl)acetamide (PubChem CID 45076654) 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-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(2-ethylphenyl)acetamide
PubChem CID45076654
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-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CSc1cc2c(=O)n(C)c(C)nc2s1
InChIInChI=1S/C18H19N3O2S2/c1-4-12-7-5-6-8-14(12)20-15(22)10-24-16-9-13-17(25-16)19-11(2)21(3)18(13)23/h5-9H,4,10H2,1-3H3,(H,20,22)
InChIKeyJQGWMVUWHSPOLI-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-(4-ethylphenyl)acetamide
CID 45076666
N-(5-chloro-2-methylphenyl)-2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanylacetamide
CID 45076627
N-(2-ethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409185
6-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-2,3-dimethylthieno[2,3-d]pyrimidin-4-one
CID 45076668
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40663485
2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 8674979
2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
CID 6411103
N-(2-ethylphenyl)-2-[[6-methyl-3-(4-methylphenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide
CID 46287752
2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
CID 31673280
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40529800
N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 7246389
N-(2-ethylphenyl)-2-[(4-oxo-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 46857409

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(2-ethylphenyl)acetamide (CID 45076654) is 2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CSc1cc2c(=O)n(C)c(C)nc2s1.
What is the InChIKey of 2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(2-ethylphenyl)acetamide?
The InChIKey is JQGWMVUWHSPOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-4-12-7-5-6-8-14(12)20-15(22)10-24-16-9-13-17(25-16)19-11(2)21(3)18(13)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-(2-ethylphenyl)acetamide?
2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(2-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-(2-ethylphenyl)acetamide is sourced from PubChem (CID 45076654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).