6,8-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide

C22H24N2O4S — CID 35574751

About 6,8-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide

6,8-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide (PubChem CID 35574751) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 6,8-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

• Compound Name: 6,8-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
• PubChem CID: 35574751
• Molecular Formula: C22H24N2O4S
• Molecular Weight: 412.51 g/mol
• Exact Mass: 412.15
• IUPAC Name: 6,8-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
• SMILES: Cc1cc(C)c2oc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc(=O)c2c1
• InChI: InChI=1S/C22H24N2O4S/c1-14-10-15(2)21-16(11-14)18(25)12-19(28-21)22(26)23-13-17(20-4-3-9-29-20)24-5-7-27-8-6-24/h3-4,9-12,17H,5-8,13H2,1-2H3,(H,23,26)/t17-/m0/s1
• InChIKey: RBTQKSISXFOWEA-KRWDZBQOSA-N
• XLogP: 3.27
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.51
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide?

The IUPAC name of 6,8-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide (CID 35574751) is 6,8-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide.

What is the SMILES notation for 6,8-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide?

The canonical SMILES for 6,8-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide is Cc1cc(C)c2oc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc(=O)c2c1.

What is the InChIKey of 6,8-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide?

The InChIKey is RBTQKSISXFOWEA-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-14-10-15(2)21-16(11-14)18(25)12-19(28-21)22(26)23-13-17(20-4-3-9-29-20)24-5-7-27-8-6-24/h3-4,9-12,17H,5-8,13H2,1-2H3,(H,23,26)/t17-/m0/s1.

What are the key properties of 6,8-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide?

6,8-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 35574751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).