4-(diethylamino)-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)benzamide

C23H22N4O2S — CID 164619574

IUPAC4-(diethylamino)-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)benzamide
SMILESCCN(CC)c1ccc(C(=O)Nc2ccc(Oc3ncnc4ccsc34)cc2)cc1
InChIInChI=1S/C23H22N4O2S/c1-3-27(4-2)18-9-5-16(6-10-18)22(28)26-17-7-11-19(12-8-17)29-23-21-20(13-14-30-21)24-15-25-23/h5-15H,3-4H2,1-2H3,(H,26,28)
InChIKeyBNCNRYAVESZFTF-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.58
Rot. Bonds7

About 4-(diethylamino)-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)benzamide

4-(diethylamino)-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)benzamide (PubChem CID 164619574) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-(diethylamino)-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)benzamide
PubChem CID164619574
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name4-(diethylamino)-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)benzamide
SMILESCCN(CC)c1ccc(C(=O)Nc2ccc(Oc3ncnc4ccsc34)cc2)cc1
InChIInChI=1S/C23H22N4O2S/c1-3-27(4-2)18-9-5-16(6-10-18)22(28)26-17-7-11-19(12-8-17)29-23-21-20(13-14-30-21)24-15-25-23/h5-15H,3-4H2,1-2H3,(H,26,28)
InChIKeyBNCNRYAVESZFTF-UHFFFAOYSA-N
XLogP5.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)benzamide?
The IUPAC name of 4-(diethylamino)-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)benzamide (CID 164619574) is 4-(diethylamino)-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)benzamide.
What is the SMILES notation for 4-(diethylamino)-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)benzamide?
The canonical SMILES for 4-(diethylamino)-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)benzamide is CCN(CC)c1ccc(C(=O)Nc2ccc(Oc3ncnc4ccsc34)cc2)cc1.
What is the InChIKey of 4-(diethylamino)-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)benzamide?
The InChIKey is BNCNRYAVESZFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-3-27(4-2)18-9-5-16(6-10-18)22(28)26-17-7-11-19(12-8-17)29-23-21-20(13-14-30-21)24-15-25-23/h5-15H,3-4H2,1-2H3,(H,26,28).
What are the key properties of 4-(diethylamino)-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)benzamide?
4-(diethylamino)-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)benzamide has a molecular weight of 418.52 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)benzamide is sourced from PubChem (CID 164619574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).