N-[5-cyclopropyl-2-fluoro-4-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]phenyl]-N-cyclopropylsulfonyl-2,2,2-trifluoroacetamide

C27H33F4N3O4S2 — CID 118353704

About N-[5-cyclopropyl-2-fluoro-4-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]phenyl]-N-cyclopropylsulfonyl-2,2,2-trifluoroacetamide

N-[5-cyclopropyl-2-fluoro-4-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]phenyl]-N-cyclopropylsulfonyl-2,2,2-trifluoroacetamide (PubChem CID 118353704) has the molecular formula C27H33F4N3O4S2 and a molecular weight of 603.70 g/mol. Its IUPAC name is N-[5-cyclopropyl-2-fluoro-4-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]phenyl]-N-cyclopropylsulfonyl-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-[5-cyclopropyl-2-fluoro-4-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]phenyl]-N-cyclopropylsulfonyl-2,2,2-trifluoroacetamide
• PubChem CID: 118353704
• Molecular Formula: C27H33F4N3O4S2
• Molecular Weight: 603.70 g/mol
• Exact Mass: 603.18
• IUPAC Name: N-[5-cyclopropyl-2-fluoro-4-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]phenyl]-N-cyclopropylsulfonyl-2,2,2-trifluoroacetamide
• SMILES: CC(C)c1nc(CN2CCC(COc3cc(F)c(N(C(=O)C(F)(F)F)S(=O)(=O)C4CC4)cc3C3CC3)CC2)cs1
• InChI: InChI=1S/C27H33F4N3O4S2/c1-16(2)25-32-19(15-39-25)13-33-9-7-17(8-10-33)14-38-24-12-22(28)23(11-21(24)18-3-4-18)34(26(35)27(29,30)31)40(36,37)20-5-6-20/h11-12,15-18,20H,3-10,13-14H2,1-2H3
• InChIKey: RQDLXFXDESHUAB-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 79.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.70
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-cyclopropyl-2-fluoro-4-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]phenyl]-N-cyclopropylsulfonyl-2,2,2-trifluoroacetamide?

The IUPAC name of N-[5-cyclopropyl-2-fluoro-4-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]phenyl]-N-cyclopropylsulfonyl-2,2,2-trifluoroacetamide (CID 118353704) is N-[5-cyclopropyl-2-fluoro-4-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]phenyl]-N-cyclopropylsulfonyl-2,2,2-trifluoroacetamide.

What is the SMILES notation for N-[5-cyclopropyl-2-fluoro-4-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]phenyl]-N-cyclopropylsulfonyl-2,2,2-trifluoroacetamide?

The canonical SMILES for N-[5-cyclopropyl-2-fluoro-4-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]phenyl]-N-cyclopropylsulfonyl-2,2,2-trifluoroacetamide is CC(C)c1nc(CN2CCC(COc3cc(F)c(N(C(=O)C(F)(F)F)S(=O)(=O)C4CC4)cc3C3CC3)CC2)cs1.

What is the InChIKey of N-[5-cyclopropyl-2-fluoro-4-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]phenyl]-N-cyclopropylsulfonyl-2,2,2-trifluoroacetamide?

The InChIKey is RQDLXFXDESHUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F4N3O4S2/c1-16(2)25-32-19(15-39-25)13-33-9-7-17(8-10-33)14-38-24-12-22(28)23(11-21(24)18-3-4-18)34(26(35)27(29,30)31)40(36,37)20-5-6-20/h11-12,15-18,20H,3-10,13-14H2,1-2H3.

What are the key properties of N-[5-cyclopropyl-2-fluoro-4-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]phenyl]-N-cyclopropylsulfonyl-2,2,2-trifluoroacetamide?

N-[5-cyclopropyl-2-fluoro-4-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]phenyl]-N-cyclopropylsulfonyl-2,2,2-trifluoroacetamide has a molecular weight of 603.70 g/mol, XLogP of 5.96, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyclopropyl-2-fluoro-4-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methoxy]phenyl]-N-cyclopropylsulfonyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 118353704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).