N-(2-benzylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C21H17N3O2S — CID 8594263

IUPACN-(2-benzylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C21H17N3O2S/c25-19(13-24-14-22-20-17(21(24)26)10-11-27-20)23-18-9-5-4-8-16(18)12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,23,25)
InChIKeyWYXBBAMJJXUEBV-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.69
Rot. Bonds5

About N-(2-benzylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-(2-benzylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 8594263) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID8594263
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-(2-benzylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C21H17N3O2S/c25-19(13-24-14-22-20-17(21(24)26)10-11-27-20)23-18-9-5-4-8-16(18)12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,23,25)
InChIKeyWYXBBAMJJXUEBV-UHFFFAOYSA-N
XLogP3.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24593241
N-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 7488437
N-(2-benzylphenyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 30763561
N-(2,5-dichlorophenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17444773
N-(methylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594302
N-[(2-methoxyphenyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 27687387
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 55482148
N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083656
N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 146131718
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(sulfamoylmethyl)phenyl]acetamide
CID 166205260
N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 26197720
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9116676

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2-benzylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 8594263) is N-(2-benzylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2-benzylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is O=C(Cn1cnc2sccc2c1=O)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is WYXBBAMJJXUEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c25-19(13-24-14-22-20-17(21(24)26)10-11-27-20)23-18-9-5-4-8-16(18)12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,23,25).
What are the key properties of N-(2-benzylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-(2-benzylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 375.45 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 8594263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).