N-(4-chloro-2-fluorophenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide

C20H13ClFN3O3S — CID 46923932

IUPACN-(4-chloro-2-fluorophenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
SMILESO=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)Nc1ccc(Cl)cc1F
InChIInChI=1S/C20H13ClFN3O3S/c21-12-6-7-15(14(22)10-12)23-17(26)11-24-16-8-9-29-18(16)19(27)25(20(24)28)13-4-2-1-3-5-13/h1-10H,11H2,(H,23,26)
InChIKeyGUQFHRWUQJNFOX-UHFFFAOYSA-N
MW429.86 g/mol
LogP3.65
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide

N-(4-chloro-2-fluorophenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide (PubChem CID 46923932) has the molecular formula C20H13ClFN3O3S and a molecular weight of 429.86 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
PubChem CID46923932
Molecular FormulaC20H13ClFN3O3S
Molecular Weight429.86 g/mol
Exact Mass429.04
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
SMILESO=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)Nc1ccc(Cl)cc1F
InChIInChI=1S/C20H13ClFN3O3S/c21-12-6-7-15(14(22)10-12)23-17(26)11-24-16-8-9-29-18(16)19(27)25(20(24)28)13-4-2-1-3-5-13/h1-10H,11H2,(H,23,26)
InChIKeyGUQFHRWUQJNFOX-UHFFFAOYSA-N
XLogP3.65
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.86
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylphenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46923940
N-(5-chloro-2-methoxyphenyl)-2-[3-(3,5-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46924072
N-(2,3-dimethylphenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46923955
N-(4-chloro-2-fluorophenyl)-2-(2-ethylsulfanyl-5,7-dioxo-6-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 53128809
N-(5-chloro-2-methoxyphenyl)-2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 22428113
ethyl 2-[[2-[3-(3-fluoro-4-methylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetyl]amino]benzoate
CID 22428051
N-(5-chloro-2-methoxyphenyl)-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46922656
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
CID 6486250
2-[3-(3,5-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 46924038
N-cyclopentyl-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 6619388
1-benzyl-3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53331622
N-(2,4-difluorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486103

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide (CID 46923932) is N-(4-chloro-2-fluorophenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide is O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide?
The InChIKey is GUQFHRWUQJNFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O3S/c21-12-6-7-15(14(22)10-12)23-17(26)11-24-16-8-9-29-18(16)19(27)25(20(24)28)13-4-2-1-3-5-13/h1-10H,11H2,(H,23,26).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide?
N-(4-chloro-2-fluorophenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide has a molecular weight of 429.86 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide is sourced from PubChem (CID 46923932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).