(2S)-N-methyl-2-morpholin-4-yl-2-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide

C33H33N3O5S — CID 68797800

About (2S)-N-methyl-2-morpholin-4-yl-2-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide

(2S)-N-methyl-2-morpholin-4-yl-2-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide (PubChem CID 68797800) has the molecular formula C33H33N3O5S and a molecular weight of 583.71 g/mol. Its IUPAC name is (2S)-N-methyl-2-morpholin-4-yl-2-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-N-methyl-2-morpholin-4-yl-2-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
• PubChem CID: 68797800
• Molecular Formula: C33H33N3O5S
• Molecular Weight: 583.71 g/mol
• Exact Mass: 583.21
• IUPAC Name: (2S)-N-methyl-2-morpholin-4-yl-2-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
• SMILES: CNC(=O)[C@](C)(c1ccc2sc3c(-c4cccc5c(=O)cc(N6CCOCC6)oc45)cccc3c2c1)N1CCOCC1
• InChI: InChI=1S/C33H33N3O5S/c1-33(32(38)34-2,36-13-17-40-18-14-36)21-9-10-28-26(19-21)24-7-4-6-23(31(24)42-28)22-5-3-8-25-27(37)20-29(41-30(22)25)35-11-15-39-16-12-35/h3-10,19-20H,11-18H2,1-2H3,(H,34,38)/t33-/m0/s1
• InChIKey: FWEAPMNCCJRLRU-XIFFEERXSA-N
• XLogP: 4.96
• TPSA: 84.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.71
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-morpholin-4-yl-2-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide?

The IUPAC name of (2S)-N-methyl-2-morpholin-4-yl-2-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide (CID 68797800) is (2S)-N-methyl-2-morpholin-4-yl-2-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide.

What is the SMILES notation for (2S)-N-methyl-2-morpholin-4-yl-2-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide?

The canonical SMILES for (2S)-N-methyl-2-morpholin-4-yl-2-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide is CNC(=O)[C@](C)(c1ccc2sc3c(-c4cccc5c(=O)cc(N6CCOCC6)oc45)cccc3c2c1)N1CCOCC1.

What is the InChIKey of (2S)-N-methyl-2-morpholin-4-yl-2-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide?

The InChIKey is FWEAPMNCCJRLRU-XIFFEERXSA-N. The full InChI is InChI=1S/C33H33N3O5S/c1-33(32(38)34-2,36-13-17-40-18-14-36)21-9-10-28-26(19-21)24-7-4-6-23(31(24)42-28)22-5-3-8-25-27(37)20-29(41-30(22)25)35-11-15-39-16-12-35/h3-10,19-20H,11-18H2,1-2H3,(H,34,38)/t33-/m0/s1.

What are the key properties of (2S)-N-methyl-2-morpholin-4-yl-2-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide?

(2S)-N-methyl-2-morpholin-4-yl-2-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide has a molecular weight of 583.71 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-methyl-2-morpholin-4-yl-2-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide is sourced from PubChem (CID 68797800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).