N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-piperidin-4-ylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid

C29H39F3N4O7S — CID 46175905

About N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-piperidin-4-ylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid

N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-piperidin-4-ylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 46175905) has the molecular formula C29H39F3N4O7S and a molecular weight of 644.71 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-piperidin-4-ylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-piperidin-4-ylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
• PubChem CID: 46175905
• Molecular Formula: C29H39F3N4O7S
• Molecular Weight: 644.71 g/mol
• Exact Mass: 644.25
• IUPAC Name: N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-piperidin-4-ylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
• SMILES: COc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N3CCC(C4CCNCC4)CC3)co2)C2CC2)c(C)c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C27H38N4O5S.C2HF3O2/c1-18-14-23(35-3)15-19(2)26(18)37(33,34)31(22-4-5-22)16-25-29-24(17-36-25)27(32)30-12-8-21(9-13-30)20-6-10-28-11-7-20;3-2(4,5)1(6)7/h14-15,17,20-22,28H,4-13,16H2,1-3H3;(H,6,7)
• InChIKey: LSIAEPYTJYMUEG-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 142.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	644.71
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-piperidin-4-ylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-piperidin-4-ylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid (CID 46175905) is N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-piperidin-4-ylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-piperidin-4-ylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-piperidin-4-ylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid is COc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N3CCC(C4CCNCC4)CC3)co2)C2CC2)c(C)c1.O=C(O)C(F)(F)F.

What is the InChIKey of N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-piperidin-4-ylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid?

The InChIKey is LSIAEPYTJYMUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O5S.C2HF3O2/c1-18-14-23(35-3)15-19(2)26(18)37(33,34)31(22-4-5-22)16-25-29-24(17-36-25)27(32)30-12-8-21(9-13-30)20-6-10-28-11-7-20;3-2(4,5)1(6)7/h14-15,17,20-22,28H,4-13,16H2,1-3H3;(H,6,7).

What are the key properties of N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-piperidin-4-ylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid?

N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-piperidin-4-ylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 644.71 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-(4-piperidin-4-ylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46175905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).