3,5,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide

C22H26N2O3S — CID 35573034

About 3,5,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide

3,5,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide (PubChem CID 35573034) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 3,5,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 3,5,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide
• PubChem CID: 35573034
• Molecular Formula: C22H26N2O3S
• Molecular Weight: 398.53 g/mol
• Exact Mass: 398.17
• IUPAC Name: 3,5,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide
• SMILES: Cc1cc2oc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)c(C)c2cc1C
• InChI: InChI=1S/C22H26N2O3S/c1-14-11-17-16(3)21(27-19(17)12-15(14)2)22(25)23-13-18(20-5-4-10-28-20)24-6-8-26-9-7-24/h4-5,10-12,18H,6-9,13H2,1-3H3,(H,23,25)/t18-/m1/s1
• InChIKey: MLMUYNXQMLRRRO-GOSISDBHSA-N
• XLogP: 4.22
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.53
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide?

The IUPAC name of 3,5,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide (CID 35573034) is 3,5,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 3,5,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 3,5,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide is Cc1cc2oc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)c(C)c2cc1C.

What is the InChIKey of 3,5,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide?

The InChIKey is MLMUYNXQMLRRRO-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-14-11-17-16(3)21(27-19(17)12-15(14)2)22(25)23-13-18(20-5-4-10-28-20)24-6-8-26-9-7-24/h4-5,10-12,18H,6-9,13H2,1-3H3,(H,23,25)/t18-/m1/s1.

What are the key properties of 3,5,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide?

3,5,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35573034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).