N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N,2-diphenylpropanamide

C33H36N4O4S — CID 67335441

About N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N,2-diphenylpropanamide

N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N,2-diphenylpropanamide (PubChem CID 67335441) has the molecular formula C33H36N4O4S and a molecular weight of 584.74 g/mol. Its IUPAC name is N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N,2-diphenylpropanamide.

Molecular Properties

• Compound Name: N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N,2-diphenylpropanamide
• PubChem CID: 67335441
• Molecular Formula: C33H36N4O4S
• Molecular Weight: 584.74 g/mol
• Exact Mass: 584.25
• IUPAC Name: N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N,2-diphenylpropanamide
• SMILES: CC(C(=O)N(c1ccccc1)C1CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)nc2)CC1)c1ccccc1
• InChI: InChI=1S/C33H36N4O4S/c1-25(27-9-5-3-6-10-27)33(38)37(29-11-7-4-8-12-29)30-19-21-36(22-20-30)24-26-13-18-32(34-23-26)41-31-16-14-28(15-17-31)35-42(2,39)40/h3-18,23,25,30,35H,19-22,24H2,1-2H3
• InChIKey: SKEGVAFOCLZCBF-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 91.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.74
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N,2-diphenylpropanamide?

The IUPAC name of N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N,2-diphenylpropanamide (CID 67335441) is N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N,2-diphenylpropanamide.

What is the SMILES notation for N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N,2-diphenylpropanamide?

The canonical SMILES for N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N,2-diphenylpropanamide is CC(C(=O)N(c1ccccc1)C1CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)nc2)CC1)c1ccccc1.

What is the InChIKey of N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N,2-diphenylpropanamide?

The InChIKey is SKEGVAFOCLZCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O4S/c1-25(27-9-5-3-6-10-27)33(38)37(29-11-7-4-8-12-29)30-19-21-36(22-20-30)24-26-13-18-32(34-23-26)41-31-16-14-28(15-17-31)35-42(2,39)40/h3-18,23,25,30,35H,19-22,24H2,1-2H3.

What are the key properties of N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N,2-diphenylpropanamide?

N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N,2-diphenylpropanamide has a molecular weight of 584.74 g/mol, XLogP of 6.05, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N,2-diphenylpropanamide is sourced from PubChem (CID 67335441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).