2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide

C18H18FN3O2S — CID 18203184

IUPAC2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCCc1cc2c(=O)n(CC(=O)N(C)Cc3ccccc3F)cnc2s1
InChIInChI=1S/C18H18FN3O2S/c1-3-13-8-14-17(25-13)20-11-22(18(14)24)10-16(23)21(2)9-12-6-4-5-7-15(12)19/h4-8,11H,3,9-10H2,1-2H3
InChIKeyJPKBYPRADSSMRM-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.82
Rot. Bonds5

About 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide

2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 18203184) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
PubChem CID18203184
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCCc1cc2c(=O)n(CC(=O)N(C)Cc3ccccc3F)cnc2s1
InChIInChI=1S/C18H18FN3O2S/c1-3-13-8-14-17(25-13)20-11-22(18(14)24)10-16(23)21(2)9-12-6-4-5-7-15(12)19/h4-8,11H,3,9-10H2,1-2H3
InChIKeyJPKBYPRADSSMRM-UHFFFAOYSA-N
XLogP2.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide (CID 18203184) is 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide is CCc1cc2c(=O)n(CC(=O)N(C)Cc3ccccc3F)cnc2s1.
What is the InChIKey of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is JPKBYPRADSSMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-3-13-8-14-17(25-13)20-11-22(18(14)24)10-16(23)21(2)9-12-6-4-5-7-15(12)19/h4-8,11H,3,9-10H2,1-2H3.
What are the key properties of 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 359.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 18203184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).