N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide

C24H33N5O4S — CID 43005077

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide (PubChem CID 43005077) has the molecular formula C24H33N5O4S and a molecular weight of 487.63 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
• PubChem CID: 43005077
• Molecular Formula: C24H33N5O4S
• Molecular Weight: 487.63 g/mol
• Exact Mass: 487.23
• IUPAC Name: N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
• SMILES: CN(C)C(CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C)c1ccco1
• InChI: InChI=1S/C24H33N5O4S/c1-27(2)21(22-8-7-15-33-22)17-25-24(30)12-11-23-26-19-16-18(9-10-20(19)28(23)3)34(31,32)29-13-5-4-6-14-29/h7-10,15-16,21H,4-6,11-14,17H2,1-3H3,(H,25,30)
• InChIKey: RQJPJNQLLUJKBX-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 100.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.63
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide?

The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide (CID 43005077) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide.

What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide?

The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide is CN(C)C(CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C)c1ccco1.

What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide?

The InChIKey is RQJPJNQLLUJKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4S/c1-27(2)21(22-8-7-15-33-22)17-25-24(30)12-11-23-26-19-16-18(9-10-20(19)28(23)3)34(31,32)29-13-5-4-6-14-29/h7-10,15-16,21H,4-6,11-14,17H2,1-3H3,(H,25,30).

What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide?

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide has a molecular weight of 487.63 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 43005077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).