N-[2-[2-oxo-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-1-yl]phenyl]propane-1-sulfonamide

C37H44N6O6S — CID 59292614

About N-[2-[2-oxo-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-1-yl]phenyl]propane-1-sulfonamide

N-[2-[2-oxo-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-1-yl]phenyl]propane-1-sulfonamide (PubChem CID 59292614) has the molecular formula C37H44N6O6S and a molecular weight of 700.86 g/mol. Its IUPAC name is N-[2-[2-oxo-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-1-yl]phenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[2-[2-oxo-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-1-yl]phenyl]propane-1-sulfonamide
• PubChem CID: 59292614
• Molecular Formula: C37H44N6O6S
• Molecular Weight: 700.86 g/mol
• Exact Mass: 700.30
• IUPAC Name: N-[2-[2-oxo-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-1-yl]phenyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(Cc2cccc(OCC(=O)N3CCCCC3)c2)c1=O
• InChI: InChI=1S/C37H44N6O6S/c1-2-24-50(47,48)39-31-16-7-8-17-32(31)43-34(29-13-5-3-6-14-29)35(36(45)41-22-18-38-19-23-41)42(37(43)46)26-28-12-11-15-30(25-28)49-27-33(44)40-20-9-4-10-21-40/h3,5-8,11-17,25,38-39H,2,4,9-10,18-24,26-27H2,1H3
• InChIKey: HUYLTPXFVHLHMA-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 134.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	700.86
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-oxo-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-1-yl]phenyl]propane-1-sulfonamide?

The IUPAC name of N-[2-[2-oxo-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-1-yl]phenyl]propane-1-sulfonamide (CID 59292614) is N-[2-[2-oxo-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-1-yl]phenyl]propane-1-sulfonamide.

What is the SMILES notation for N-[2-[2-oxo-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-1-yl]phenyl]propane-1-sulfonamide?

The canonical SMILES for N-[2-[2-oxo-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-1-yl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(Cc2cccc(OCC(=O)N3CCCCC3)c2)c1=O.

What is the InChIKey of N-[2-[2-oxo-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-1-yl]phenyl]propane-1-sulfonamide?

The InChIKey is HUYLTPXFVHLHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44N6O6S/c1-2-24-50(47,48)39-31-16-7-8-17-32(31)43-34(29-13-5-3-6-14-29)35(36(45)41-22-18-38-19-23-41)42(37(43)46)26-28-12-11-15-30(25-28)49-27-33(44)40-20-9-4-10-21-40/h3,5-8,11-17,25,38-39H,2,4,9-10,18-24,26-27H2,1H3.

What are the key properties of N-[2-[2-oxo-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-1-yl]phenyl]propane-1-sulfonamide?

N-[2-[2-oxo-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-1-yl]phenyl]propane-1-sulfonamide has a molecular weight of 700.86 g/mol, XLogP of 3.94, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-oxo-3-[[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-1-yl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 59292614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).