N-(5-chloro-2-methoxyphenyl)-2-[5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-1-yl]acetamide

C24H19ClF3N3O4S — CID 22428477

IUPACN-(5-chloro-2-methoxyphenyl)-2-[5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(-c2cccc(C(F)(F)F)c2)c(=O)c2c(C)c(C)sc21
InChIInChI=1S/C24H19ClF3N3O4S/c1-12-13(2)36-22-20(12)21(33)31(16-6-4-5-14(9-16)24(26,27)28)23(34)30(22)11-19(32)29-17-10-15(25)7-8-18(17)35-3/h4-10H,11H2,1-3H3,(H,29,32)
InChIKeyVHNVDIOKIRIDRK-UHFFFAOYSA-N
MW537.95 g/mol
LogP5.15
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-[5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-1-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-1-yl]acetamide (PubChem CID 22428477) has the molecular formula C24H19ClF3N3O4S and a molecular weight of 537.95 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-1-yl]acetamide
PubChem CID22428477
Molecular FormulaC24H19ClF3N3O4S
Molecular Weight537.95 g/mol
Exact Mass537.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(-c2cccc(C(F)(F)F)c2)c(=O)c2c(C)c(C)sc21
InChIInChI=1S/C24H19ClF3N3O4S/c1-12-13(2)36-22-20(12)21(33)31(16-6-4-5-14(9-16)24(26,27)28)23(34)30(22)11-19(32)29-17-10-15(25)7-8-18(17)35-3/h4-10H,11H2,1-3H3,(H,29,32)
InChIKeyVHNVDIOKIRIDRK-UHFFFAOYSA-N
XLogP5.15
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.95
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-chlorophenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 15999904
methyl 2-[[2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetyl]amino]benzoate
CID 22423520
2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22428494
N-(5-chloro-2-methoxyphenyl)-2-[3-(3,5-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46924072
N-(5-chloro-2-methoxyphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2555513
2-[3-(4-ethoxyphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 22428380
N-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109039094
2-[3-(3-chlorophenyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 17197944
2-[3-(3,4-dichlorophenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 22428456
N-(5-chloro-2-methoxyphenyl)-2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]acetamide
CID 3436409
2-[11-acetyl-4-(3-chlorophenyl)-3,5-dioxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 16956158
N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 752445

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-1-yl]acetamide (CID 22428477) is N-(5-chloro-2-methoxyphenyl)-2-[5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-1-yl]acetamide is COc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(-c2cccc(C(F)(F)F)c2)c(=O)c2c(C)c(C)sc21.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-1-yl]acetamide?
The InChIKey is VHNVDIOKIRIDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N3O4S/c1-12-13(2)36-22-20(12)21(33)31(16-6-4-5-14(9-16)24(26,27)28)23(34)30(22)11-19(32)29-17-10-15(25)7-8-18(17)35-3/h4-10H,11H2,1-3H3,(H,29,32).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-1-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-1-yl]acetamide has a molecular weight of 537.95 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 22428477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).