2-(2,5-dimethylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C18H19N3O3S — CID 7661786

IUPAC2-(2,5-dimethylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1cc2c(=O)n(NC(=O)COc3cc(C)ccc3C)cnc2s1
InChIInChI=1S/C18H19N3O3S/c1-4-13-8-14-17(25-13)19-10-21(18(14)23)20-16(22)9-24-15-7-11(2)5-6-12(15)3/h5-8,10H,4,9H2,1-3H3,(H,20,22)
InChIKeyCBVLYHSSHGOCRQ-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.79
Rot. Bonds5

About 2-(2,5-dimethylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

2-(2,5-dimethylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 7661786) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID7661786
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-(2,5-dimethylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1cc2c(=O)n(NC(=O)COc3cc(C)ccc3C)cnc2s1
InChIInChI=1S/C18H19N3O3S/c1-4-13-8-14-17(25-13)19-10-21(18(14)23)20-16(22)9-24-15-7-11(2)5-6-12(15)3/h5-8,10H,4,9H2,1-3H3,(H,20,22)
InChIKeyCBVLYHSSHGOCRQ-UHFFFAOYSA-N
XLogP2.79
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8912583
2-(2-tert-butylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24538992
3-[(4-tert-butylphenyl)sulfonylamino]-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 24539102
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)furan-2-carboxamide
CID 17451363
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-4-(1H-indol-3-yl)butanamide
CID 8001763
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 24539050
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methylphenoxy)acetamide
CID 18586628
N'-[2-(2,5-dimethylphenoxy)acetyl]-4-methyl-2-propyl-1,3-thiazole-5-carbohydrazide
CID 55691433
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
(2S)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 24539092

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 7661786) is 2-(2,5-dimethylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is CCc1cc2c(=O)n(NC(=O)COc3cc(C)ccc3C)cnc2s1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is CBVLYHSSHGOCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-4-13-8-14-17(25-13)19-10-21(18(14)23)20-16(22)9-24-15-7-11(2)5-6-12(15)3/h5-8,10H,4,9H2,1-3H3,(H,20,22).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
2-(2,5-dimethylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 7661786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).