N-[4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

C20H17F3N4O5S — CID 55668358

About N-[4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 55668358) has the molecular formula C20H17F3N4O5S and a molecular weight of 482.44 g/mol. Its IUPAC name is N-[4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
• PubChem CID: 55668358
• Molecular Formula: C20H17F3N4O5S
• Molecular Weight: 482.44 g/mol
• Exact Mass: 482.09
• IUPAC Name: N-[4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
• SMILES: CN(CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)S(=O)(=O)c1cccnc1
• InChI: InChI=1S/C20H17F3N4O5S/c1-27(33(30,31)14-4-2-8-24-11-14)12-18(28)26-16-7-6-13(10-15(16)20(21,22)23)25-19(29)17-5-3-9-32-17/h2-11H,12H2,1H3,(H,25,29)(H,26,28)
• InChIKey: OJDCLIGXTQTVMH-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 121.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.44
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?

The IUPAC name of N-[4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 55668358) is N-[4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?

The canonical SMILES for N-[4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is CN(CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)S(=O)(=O)c1cccnc1.

What is the InChIKey of N-[4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?

The InChIKey is OJDCLIGXTQTVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O5S/c1-27(33(30,31)14-4-2-8-24-11-14)12-18(28)26-16-7-6-13(10-15(16)20(21,22)23)25-19(29)17-5-3-9-32-17/h2-11H,12H2,1H3,(H,25,29)(H,26,28).

What are the key properties of N-[4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide?

N-[4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 482.44 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55668358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).