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

C17H16ClN3O3S — CID 8912583

IUPAC2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1cc2c(=O)n(NC(=O)COc3ccc(Cl)c(C)c3)cnc2s1
InChIInChI=1S/C17H16ClN3O3S/c1-3-12-7-13-16(25-12)19-9-21(17(13)23)20-15(22)8-24-11-4-5-14(18)10(2)6-11/h4-7,9H,3,8H2,1-2H3,(H,20,22)
InChIKeyGIHPBOJWYRECQB-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.13
Rot. Bonds5

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

2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 8912583) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID8912583
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1cc2c(=O)n(NC(=O)COc3ccc(Cl)c(C)c3)cnc2s1
InChIInChI=1S/C17H16ClN3O3S/c1-3-12-7-13-16(25-12)19-9-21(17(13)23)20-15(22)8-24-11-4-5-14(18)10(2)6-11/h4-7,9H,3,8H2,1-2H3,(H,20,22)
InChIKeyGIHPBOJWYRECQB-UHFFFAOYSA-N
XLogP3.13
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dimethylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7661786
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-(oxolan-2-ylmethoxy)benzamide
CID 42888913
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
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)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
CID 24539119
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)-4-(1H-indol-3-yl)butanamide
CID 8001763
2-(4-chloro-3-methylphenoxy)-N-[(1R,2S,6S,7R)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]acetamide
CID 23306743
2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 108767849
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196
2-(4-chloro-3-methylphenoxy)-N-[[4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide
CID 17018513
ethyl 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate
CID 7794752

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 8912583) is 2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is CCc1cc2c(=O)n(NC(=O)COc3ccc(Cl)c(C)c3)cnc2s1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is GIHPBOJWYRECQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-3-12-7-13-16(25-12)19-9-21(17(13)23)20-15(22)8-24-11-4-5-14(18)10(2)6-11/h4-7,9H,3,8H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 377.85 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 8912583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).