1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

C25H30F3N3O7S — CID 146062195

About 1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 146062195) has the molecular formula C25H30F3N3O7S and a molecular weight of 573.59 g/mol. Its IUPAC name is 1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 146062195
• Molecular Formula: C25H30F3N3O7S
• Molecular Weight: 573.59 g/mol
• Exact Mass: 573.18
• IUPAC Name: 1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: COc1cccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCN4CCOCC4)CC3)cc2)c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H29N3O5S.C2HF3O2/c1-30-20-3-2-4-21(17-20)32(28,29)25-19-7-5-18(6-8-19)23(9-10-23)22(27)24-11-12-26-13-15-31-16-14-26;3-2(4,5)1(6)7/h2-8,17,25H,9-16H2,1H3,(H,24,27);(H,6,7)
• InChIKey: IJIBEIKTXWJKBR-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 134.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.59
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (CID 146062195) is 1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is COc1cccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCN4CCOCC4)CC3)cc2)c1.O=C(O)C(F)(F)F.

What is the InChIKey of 1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is IJIBEIKTXWJKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S.C2HF3O2/c1-30-20-3-2-4-21(17-20)32(28,29)25-19-7-5-18(6-8-19)23(9-10-23)22(27)24-11-12-26-13-15-31-16-14-26;3-2(4,5)1(6)7/h2-8,17,25H,9-16H2,1H3,(H,24,27);(H,6,7).

What are the key properties of 1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?

1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 573.59 g/mol, XLogP of 2.61, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146062195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).