2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenyl-N-prop-2-enylacetamide

C24H21N3O2S — CID 8573295

IUPAC2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O)c1ccccc1
InChIInChI=1S/C24H21N3O2S/c1-3-13-27(19-7-5-4-6-8-19)21(28)14-26-16-25-23-22(24(26)29)20(15-30-23)18-11-9-17(2)10-12-18/h3-12,15-16H,1,13-14H2,2H3
InChIKeyKFFPFPLHDVZDAW-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.65
Rot. Bonds6

About 2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenyl-N-prop-2-enylacetamide

2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenyl-N-prop-2-enylacetamide (PubChem CID 8573295) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenyl-N-prop-2-enylacetamide
PubChem CID8573295
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O)c1ccccc1
InChIInChI=1S/C24H21N3O2S/c1-3-13-27(19-7-5-4-6-8-19)21(28)14-26-16-25-23-22(24(26)29)20(15-30-23)18-11-9-17(2)10-12-18/h3-12,15-16H,1,13-14H2,2H3
InChIKeyKFFPFPLHDVZDAW-UHFFFAOYSA-N
XLogP4.65
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(3-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7732204
2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N,N-di(propan-2-yl)acetamide
CID 7875461
2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 731332
N-[(2-fluorophenyl)methyl]-N-methyl-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 27928425
N-benzyl-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7672416
N-benzyl-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide
CID 7729488
2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-phenyl-N-prop-2-enylacetamide
CID 8576857
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 8573297
3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-prop-2-enylpropanamide
CID 27007435
N-benzyl-N-ethyl-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 32789194
5-(4-ethoxyphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one
CID 7708384
N-(2-fluorophenyl)-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7697053

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenyl-N-prop-2-enylacetamide?
The IUPAC name of 2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenyl-N-prop-2-enylacetamide (CID 8573295) is 2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenyl-N-prop-2-enylacetamide is C=CCN(C(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O)c1ccccc1.
What is the InChIKey of 2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenyl-N-prop-2-enylacetamide?
The InChIKey is KFFPFPLHDVZDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-3-13-27(19-7-5-4-6-8-19)21(28)14-26-16-25-23-22(24(26)29)20(15-30-23)18-11-9-17(2)10-12-18/h3-12,15-16H,1,13-14H2,2H3.
What are the key properties of 2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenyl-N-prop-2-enylacetamide?
2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenyl-N-prop-2-enylacetamide has a molecular weight of 415.52 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenyl-N-prop-2-enylacetamide is sourced from PubChem (CID 8573295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).