N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide

C28H32F3N5O5S — CID 46175988

About N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide

N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide (PubChem CID 46175988) has the molecular formula C28H32F3N5O5S and a molecular weight of 607.66 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide
• PubChem CID: 46175988
• Molecular Formula: C28H32F3N5O5S
• Molecular Weight: 607.66 g/mol
• Exact Mass: 607.21
• IUPAC Name: N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide
• SMILES: COc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N3CCN(Cc4ccc(C(F)(F)F)nc4)CC3)co2)C2CC2)c(C)c1
• InChI: InChI=1S/C28H32F3N5O5S/c1-18-12-22(40-3)13-19(2)26(18)42(38,39)36(21-5-6-21)16-25-33-23(17-41-25)27(37)35-10-8-34(9-11-35)15-20-4-7-24(32-14-20)28(29,30)31/h4,7,12-14,17,21H,5-6,8-11,15-16H2,1-3H3
• InChIKey: BPVGSPKFKHKJJV-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 109.08 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.66
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide?

The IUPAC name of N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide (CID 46175988) is N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide.

What is the SMILES notation for N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide?

The canonical SMILES for N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N3CCN(Cc4ccc(C(F)(F)F)nc4)CC3)co2)C2CC2)c(C)c1.

What is the InChIKey of N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide?

The InChIKey is BPVGSPKFKHKJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N5O5S/c1-18-12-22(40-3)13-19(2)26(18)42(38,39)36(21-5-6-21)16-25-33-23(17-41-25)27(37)35-10-8-34(9-11-35)15-20-4-7-24(32-14-20)28(29,30)31/h4,7,12-14,17,21H,5-6,8-11,15-16H2,1-3H3.

What are the key properties of N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide?

N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 607.66 g/mol, XLogP of 4.03, 9 rotatable bonds, 0 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-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 46175988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).