1-(furan-2-ylsulfonylamino)-N-[[2-pyrrolidin-1-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]cyclopropane-1-carboxamide

C25H25F3N4O4S — CID 134561924

About 1-(furan-2-ylsulfonylamino)-N-[[2-pyrrolidin-1-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]cyclopropane-1-carboxamide

1-(furan-2-ylsulfonylamino)-N-[[2-pyrrolidin-1-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]cyclopropane-1-carboxamide (PubChem CID 134561924) has the molecular formula C25H25F3N4O4S and a molecular weight of 534.56 g/mol. Its IUPAC name is 1-(furan-2-ylsulfonylamino)-N-[[2-pyrrolidin-1-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(furan-2-ylsulfonylamino)-N-[[2-pyrrolidin-1-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]cyclopropane-1-carboxamide
• PubChem CID: 134561924
• Molecular Formula: C25H25F3N4O4S
• Molecular Weight: 534.56 g/mol
• Exact Mass: 534.15
• IUPAC Name: 1-(furan-2-ylsulfonylamino)-N-[[2-pyrrolidin-1-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]cyclopropane-1-carboxamide
• SMILES: O=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCCC2)c1)C1(NS(=O)(=O)c2ccco2)CC1
• InChI: InChI=1S/C25H25F3N4O4S/c26-25(27,28)19-7-5-18(6-8-19)20-14-17(15-21(30-20)32-11-1-2-12-32)16-29-23(33)24(9-10-24)31-37(34,35)22-4-3-13-36-22/h3-8,13-15,31H,1-2,9-12,16H2,(H,29,33)
• InChIKey: KZIFFJWQVNWLHX-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 104.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.56
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylsulfonylamino)-N-[[2-pyrrolidin-1-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-(furan-2-ylsulfonylamino)-N-[[2-pyrrolidin-1-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]cyclopropane-1-carboxamide (CID 134561924) is 1-(furan-2-ylsulfonylamino)-N-[[2-pyrrolidin-1-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-(furan-2-ylsulfonylamino)-N-[[2-pyrrolidin-1-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-(furan-2-ylsulfonylamino)-N-[[2-pyrrolidin-1-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]cyclopropane-1-carboxamide is O=C(NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N2CCCC2)c1)C1(NS(=O)(=O)c2ccco2)CC1.

What is the InChIKey of 1-(furan-2-ylsulfonylamino)-N-[[2-pyrrolidin-1-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]cyclopropane-1-carboxamide?

The InChIKey is KZIFFJWQVNWLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O4S/c26-25(27,28)19-7-5-18(6-8-19)20-14-17(15-21(30-20)32-11-1-2-12-32)16-29-23(33)24(9-10-24)31-37(34,35)22-4-3-13-36-22/h3-8,13-15,31H,1-2,9-12,16H2,(H,29,33).

What are the key properties of 1-(furan-2-ylsulfonylamino)-N-[[2-pyrrolidin-1-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]cyclopropane-1-carboxamide?

1-(furan-2-ylsulfonylamino)-N-[[2-pyrrolidin-1-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 534.56 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-ylsulfonylamino)-N-[[2-pyrrolidin-1-yl-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134561924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).