6,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide

C23H26N2O3S — CID 35574665

About 6,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide

6,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide (PubChem CID 35574665) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 6,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide.

Molecular Properties

• Compound Name: 6,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
• PubChem CID: 35574665
• Molecular Formula: C23H26N2O3S
• Molecular Weight: 410.54 g/mol
• Exact Mass: 410.17
• IUPAC Name: 6,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
• SMILES: Cc1cc2oc(C(=O)NC[C@@H](c3cccs3)N3CCCCC3)cc(=O)c2cc1C
• InChI: InChI=1S/C23H26N2O3S/c1-15-11-17-19(26)13-21(28-20(17)12-16(15)2)23(27)24-14-18(22-7-6-10-29-22)25-8-4-3-5-9-25/h6-7,10-13,18H,3-5,8-9,14H2,1-2H3,(H,24,27)/t18-/m0/s1
• InChIKey: AQEPILDBZIAHTQ-SFHVURJKSA-N
• XLogP: 4.43
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.54
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide?

The IUPAC name of 6,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide (CID 35574665) is 6,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide.

What is the SMILES notation for 6,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide?

The canonical SMILES for 6,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide is Cc1cc2oc(C(=O)NC[C@@H](c3cccs3)N3CCCCC3)cc(=O)c2cc1C.

What is the InChIKey of 6,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide?

The InChIKey is AQEPILDBZIAHTQ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-15-11-17-19(26)13-21(28-20(17)12-16(15)2)23(27)24-14-18(22-7-6-10-29-22)25-8-4-3-5-9-25/h6-7,10-13,18H,3-5,8-9,14H2,1-2H3,(H,24,27)/t18-/m0/s1.

What are the key properties of 6,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide?

6,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide is sourced from PubChem (CID 35574665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).