N-(2-morpholin-4-ylethyl)-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

C27H34F3N3O6S — CID 146062183

About N-(2-morpholin-4-ylethyl)-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

N-(2-morpholin-4-ylethyl)-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 146062183) has the molecular formula C27H34F3N3O6S and a molecular weight of 585.65 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-(2-morpholin-4-ylethyl)-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 146062183
• Molecular Formula: C27H34F3N3O6S
• Molecular Weight: 585.65 g/mol
• Exact Mass: 585.21
• IUPAC Name: N-(2-morpholin-4-ylethyl)-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CC(C)c1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCN4CCOCC4)CC3)cc2)cc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C25H33N3O4S.C2HF3O2/c1-19(2)20-3-9-23(10-4-20)33(30,31)27-22-7-5-21(6-8-22)25(11-12-25)24(29)26-13-14-28-15-17-32-18-16-28;3-2(4,5)1(6)7/h3-10,19,27H,11-18H2,1-2H3,(H,26,29);(H,6,7)
• InChIKey: GNBHMPGFBUXCRI-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 125.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.65
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-(2-morpholin-4-ylethyl)-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (CID 146062183) is N-(2-morpholin-4-ylethyl)-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-(2-morpholin-4-ylethyl)-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is CC(C)c1ccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCN4CCOCC4)CC3)cc2)cc1.O=C(O)C(F)(F)F.

What is the InChIKey of N-(2-morpholin-4-ylethyl)-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is GNBHMPGFBUXCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4S.C2HF3O2/c1-19(2)20-3-9-23(10-4-20)33(30,31)27-22-7-5-21(6-8-22)25(11-12-25)24(29)26-13-14-28-15-17-32-18-16-28;3-2(4,5)1(6)7/h3-10,19,27H,11-18H2,1-2H3,(H,26,29);(H,6,7).

What are the key properties of N-(2-morpholin-4-ylethyl)-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?

N-(2-morpholin-4-ylethyl)-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 585.65 g/mol, XLogP of 3.72, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-morpholin-4-ylethyl)-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146062183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).