5-chloro-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide

C20H14ClN3O2S — CID 9251132

IUPAC5-chloro-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide
SMILESCc1ccc(-c2csc3ncnc(Oc4ccc(Cl)cc4C(N)=O)c23)cc1
InChIInChI=1S/C20H14ClN3O2S/c1-11-2-4-12(5-3-11)15-9-27-20-17(15)19(23-10-24-20)26-16-7-6-13(21)8-14(16)18(22)25/h2-10H,1H3,(H2,22,25)
InChIKeyKNIIUUYEHRHRBA-UHFFFAOYSA-N
MW395.87 g/mol
LogP5.21
Rot. Bonds4

About 5-chloro-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide

5-chloro-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide (PubChem CID 9251132) has the molecular formula C20H14ClN3O2S and a molecular weight of 395.87 g/mol. Its IUPAC name is 5-chloro-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name5-chloro-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide
PubChem CID9251132
Molecular FormulaC20H14ClN3O2S
Molecular Weight395.87 g/mol
Exact Mass395.05
IUPAC Name5-chloro-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide
SMILESCc1ccc(-c2csc3ncnc(Oc4ccc(Cl)cc4C(N)=O)c23)cc1
InChIInChI=1S/C20H14ClN3O2S/c1-11-2-4-12(5-3-11)15-9-27-20-17(15)19(23-10-24-20)26-16-7-6-13(21)8-14(16)18(22)25/h2-10H,1H3,(H2,22,25)
InChIKeyKNIIUUYEHRHRBA-UHFFFAOYSA-N
XLogP5.21
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.87
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9251119
4-(2,5-dimethylphenoxy)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
CID 3487676
5-(4-chlorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine
CID 1228156
methyl 4-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzoate
CID 2334773
5-chloro-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9251131
5-(4-chlorophenyl)-4-(2-ethoxyphenoxy)thieno[2,3-d]pyrimidine
CID 4969541
4-[(6-methyl-2-nitro-3-pyridinyl)oxy]-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
CID 9111798
4-[5-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-fluoroaniline
CID 141284717
N-tert-butyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483706
N-(2,5-dimethoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483739
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone
CID 2085156
N-[(4-methylphenyl)methyl]-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 3909766

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide?
The IUPAC name of 5-chloro-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide (CID 9251132) is 5-chloro-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide.
What is the SMILES notation for 5-chloro-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide?
The canonical SMILES for 5-chloro-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide is Cc1ccc(-c2csc3ncnc(Oc4ccc(Cl)cc4C(N)=O)c23)cc1.
What is the InChIKey of 5-chloro-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide?
The InChIKey is KNIIUUYEHRHRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2S/c1-11-2-4-12(5-3-11)15-9-27-20-17(15)19(23-10-24-20)26-16-7-6-13(21)8-14(16)18(22)25/h2-10H,1H3,(H2,22,25).
What are the key properties of 5-chloro-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide?
5-chloro-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide has a molecular weight of 395.87 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 9251132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).