N-benzyl-2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide

C21H16ClN3O2S — CID 30850055

IUPACN-benzyl-2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
SMILESO=C(Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O)NCc1ccccc1
InChIInChI=1S/C21H16ClN3O2S/c22-16-8-6-15(7-9-16)17-12-28-20-19(17)24-13-25(21(20)27)11-18(26)23-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,23,26)
InChIKeyAYWKQFDQQXYHBW-UHFFFAOYSA-N
MW409.90 g/mol
LogP4.09
Rot. Bonds5

About N-benzyl-2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide

N-benzyl-2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide (PubChem CID 30850055) has the molecular formula C21H16ClN3O2S and a molecular weight of 409.90 g/mol. Its IUPAC name is N-benzyl-2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
PubChem CID30850055
Molecular FormulaC21H16ClN3O2S
Molecular Weight409.90 g/mol
Exact Mass409.07
IUPAC NameN-benzyl-2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
SMILESO=C(Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O)NCc1ccccc1
InChIInChI=1S/C21H16ClN3O2S/c22-16-8-6-15(7-9-16)17-12-28-20-19(17)24-13-25(21(20)27)11-18(26)23-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,23,26)
InChIKeyAYWKQFDQQXYHBW-UHFFFAOYSA-N
XLogP4.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45498400
N-[(4-fluorophenyl)methyl]-2-[7-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45498997
N-[(4-methoxyphenyl)methyl]-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45498403
2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30850230
N-[(2-methoxyphenyl)methyl]-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45498401
N-benzyl-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7672416
N-benzyl-2-[5-(4-chlorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 40824787
N-(3,5-dimethoxyphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
CID 30849747
N-cyclopentyl-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45498399
N-(3-methylsulfanylphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
CID 30849647
N-(5-fluoro-2-methylphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
CID 30849624
2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 41040835

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide (CID 30850055) is N-benzyl-2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide is O=C(Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
The InChIKey is AYWKQFDQQXYHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2S/c22-16-8-6-15(7-9-16)17-12-28-20-19(17)24-13-25(21(20)27)11-18(26)23-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,23,26).
What are the key properties of N-benzyl-2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide?
N-benzyl-2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide has a molecular weight of 409.90 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[7-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 30850055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).