5-chloro-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide

C19H12ClN3O2S — CID 9251131

IUPAC5-chloro-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
SMILESNC(=O)c1cc(Cl)ccc1Oc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C19H12ClN3O2S/c20-12-6-7-15(13(8-12)17(21)24)25-18-14-9-16(11-4-2-1-3-5-11)26-19(14)23-10-22-18/h1-10H,(H2,21,24)
InChIKeyMPRXQIYWCWRMQG-UHFFFAOYSA-N
MW381.84 g/mol
LogP4.90
Rot. Bonds4

About 5-chloro-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide

5-chloro-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide (PubChem CID 9251131) has the molecular formula C19H12ClN3O2S and a molecular weight of 381.84 g/mol. Its IUPAC name is 5-chloro-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide.

Molecular Properties

Compound Name5-chloro-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
PubChem CID9251131
Molecular FormulaC19H12ClN3O2S
Molecular Weight381.84 g/mol
Exact Mass381.03
IUPAC Name5-chloro-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
SMILESNC(=O)c1cc(Cl)ccc1Oc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C19H12ClN3O2S/c20-12-6-7-15(13(8-12)17(21)24)25-18-14-9-16(11-4-2-1-3-5-11)26-19(14)23-10-22-18/h1-10H,(H2,21,24)
InChIKeyMPRXQIYWCWRMQG-UHFFFAOYSA-N
XLogP4.90
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 54.90
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-phenoxy-6-phenylthieno[2,3-d]pyrimidine
CID 2408628
5-chloro-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide
CID 9251132
4-(2-methylquinolin-8-yl)oxy-6-phenylthieno[2,3-d]pyrimidine
CID 985281
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 2668978
(2R)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 7558288
4-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 58810662
5-bromo-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid
CID 107730175
methyl (2S)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoate
CID 725204
3-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 133409231
2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 18137836
4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine
CID 7674132

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide?
The IUPAC name of 5-chloro-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide (CID 9251131) is 5-chloro-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide.
What is the SMILES notation for 5-chloro-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide?
The canonical SMILES for 5-chloro-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide is NC(=O)c1cc(Cl)ccc1Oc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of 5-chloro-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide?
The InChIKey is MPRXQIYWCWRMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O2S/c20-12-6-7-15(13(8-12)17(21)24)25-18-14-9-16(11-4-2-1-3-5-11)26-19(14)23-10-22-18/h1-10H,(H2,21,24).
What are the key properties of 5-chloro-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide?
5-chloro-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide has a molecular weight of 381.84 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide is sourced from PubChem (CID 9251131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).