N-ethyl-N-(3-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

C23H21N3O2S — CID 7732204

IUPACN-ethyl-N-(3-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCN(C(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O)c1cccc(C)c1
InChIInChI=1S/C23H21N3O2S/c1-3-26(18-11-7-8-16(2)12-18)20(27)13-25-15-24-22-21(23(25)28)19(14-29-22)17-9-5-4-6-10-17/h4-12,14-15H,3,13H2,1-2H3
InChIKeyWOJPULLGXCMAQB-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.49
Rot. Bonds5

About N-ethyl-N-(3-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

N-ethyl-N-(3-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 7732204) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID7732204
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-ethyl-N-(3-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCN(C(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O)c1cccc(C)c1
InChIInChI=1S/C23H21N3O2S/c1-3-26(18-11-7-8-16(2)12-18)20(27)13-25-15-24-22-21(23(25)28)19(14-29-22)17-9-5-4-6-10-17/h4-12,14-15H,3,13H2,1-2H3
InChIKeyWOJPULLGXCMAQB-UHFFFAOYSA-N
XLogP4.49
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-phenyl-N-prop-2-enylacetamide
CID 8573295
2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 731332
2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N,N-di(propan-2-yl)acetamide
CID 7875461
N-(2,6-diethylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7674366
5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one
CID 731331
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 46559572
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-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1404117
N-[(2-fluorophenyl)methyl]-N-methyl-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 27928425
5-(4-ethylphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one
CID 7708377
5-(3,4-dimethylphenyl)-3-[2-oxo-2-(4-phenylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 20999134

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide (CID 7732204) is N-ethyl-N-(3-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is CCN(C(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is WOJPULLGXCMAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-3-26(18-11-7-8-16(2)12-18)20(27)13-25-15-24-22-21(23(25)28)19(14-29-22)17-9-5-4-6-10-17/h4-12,14-15H,3,13H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide?
N-ethyl-N-(3-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 403.51 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 7732204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).