N-[2-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]sulfanylethyl]-N-propan-2-ylpropan-2-amine

C24H38N4O4S2 — CID 92769036

About N-[2-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]sulfanylethyl]-N-propan-2-ylpropan-2-amine

N-[2-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]sulfanylethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 92769036) has the molecular formula C24H38N4O4S2 and a molecular weight of 510.73 g/mol. Its IUPAC name is N-[2-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]sulfanylethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

• Compound Name: N-[2-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]sulfanylethyl]-N-propan-2-ylpropan-2-amine
• PubChem CID: 92769036
• Molecular Formula: C24H38N4O4S2
• Molecular Weight: 510.73 g/mol
• Exact Mass: 510.23
• IUPAC Name: N-[2-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]sulfanylethyl]-N-propan-2-ylpropan-2-amine
• SMILES: CC(C)N(CCSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C[C@H]1CCCO1)C(C)C
• InChI: InChI=1S/C24H38N4O4S2/c1-18(2)27(19(3)4)11-15-33-24-25-22-16-21(34(29,30)26-9-13-31-14-10-26)7-8-23(22)28(24)17-20-6-5-12-32-20/h7-8,16,18-20H,5-6,9-15,17H2,1-4H3/t20-/m1/s1
• InChIKey: AUUIMDBUFLFFBX-HXUWFJFHSA-N
• XLogP: 3.45
• TPSA: 76.90 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.73
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]sulfanylethyl]-N-propan-2-ylpropan-2-amine?

The IUPAC name of N-[2-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]sulfanylethyl]-N-propan-2-ylpropan-2-amine (CID 92769036) is N-[2-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]sulfanylethyl]-N-propan-2-ylpropan-2-amine.

What is the SMILES notation for N-[2-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]sulfanylethyl]-N-propan-2-ylpropan-2-amine?

The canonical SMILES for N-[2-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]sulfanylethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C[C@H]1CCCO1)C(C)C.

What is the InChIKey of N-[2-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]sulfanylethyl]-N-propan-2-ylpropan-2-amine?

The InChIKey is AUUIMDBUFLFFBX-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H38N4O4S2/c1-18(2)27(19(3)4)11-15-33-24-25-22-16-21(34(29,30)26-9-13-31-14-10-26)7-8-23(22)28(24)17-20-6-5-12-32-20/h7-8,16,18-20H,5-6,9-15,17H2,1-4H3/t20-/m1/s1.

What are the key properties of N-[2-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]sulfanylethyl]-N-propan-2-ylpropan-2-amine?

N-[2-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]sulfanylethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 510.73 g/mol, XLogP of 3.45, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-morpholin-4-ylsulfonyl-1-[[(2R)-oxolan-2-yl]methyl]benzimidazol-2-yl]sulfanylethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 92769036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).