(3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

C23H28N4O3S — CID 92877210

About (3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

(3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 92877210) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is (3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
• PubChem CID: 92877210
• Molecular Formula: C23H28N4O3S
• Molecular Weight: 440.57 g/mol
• Exact Mass: 440.19
• IUPAC Name: (3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
• SMILES: CCc1cc2c(N3CCC[C@H](C(=O)NCc4cc(OC)ccc4OC)C3)ncnc2s1
• InChI: InChI=1S/C23H28N4O3S/c1-4-18-11-19-21(25-14-26-23(19)31-18)27-9-5-6-15(13-27)22(28)24-12-16-10-17(29-2)7-8-20(16)30-3/h7-8,10-11,14-15H,4-6,9,12-13H2,1-3H3,(H,24,28)/t15-/m0/s1
• InChIKey: WULKUKCOPULGPS-HNNXBMFYSA-N
• XLogP: 3.80
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.57
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?

The IUPAC name of (3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 92877210) is (3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?

The canonical SMILES for (3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is CCc1cc2c(N3CCC[C@H](C(=O)NCc4cc(OC)ccc4OC)C3)ncnc2s1.

What is the InChIKey of (3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?

The InChIKey is WULKUKCOPULGPS-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-4-18-11-19-21(25-14-26-23(19)31-18)27-9-5-6-15(13-27)22(28)24-12-16-10-17(29-2)7-8-20(16)30-3/h7-8,10-11,14-15H,4-6,9,12-13H2,1-3H3,(H,24,28)/t15-/m0/s1.

What are the key properties of (3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?

(3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92877210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).