2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide

C24H20F3N3O4S — CID 122696056

IUPAC2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide
SMILESCC(NS(=O)(=O)c1cc2ccccc2o1)C(=O)NCc1cccc(-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C24H20F3N3O4S/c1-15(30-35(32,33)22-12-18-6-2-3-8-21(18)34-22)23(31)29-13-16-5-4-7-17(11-16)20-10-9-19(14-28-20)24(25,26)27/h2-12,14-15,30H,13H2,1H3,(H,29,31)
InChIKeyOCQUJPMFJQVJDY-UHFFFAOYSA-N
MW503.50 g/mol
LogP4.50
Rot. Bonds7

About 2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide

2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide (PubChem CID 122696056) has the molecular formula C24H20F3N3O4S and a molecular weight of 503.50 g/mol. Its IUPAC name is 2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide
PubChem CID122696056
Molecular FormulaC24H20F3N3O4S
Molecular Weight503.50 g/mol
Exact Mass503.11
IUPAC Name2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide
SMILESCC(NS(=O)(=O)c1cc2ccccc2o1)C(=O)NCc1cccc(-c2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C24H20F3N3O4S/c1-15(30-35(32,33)22-12-18-6-2-3-8-21(18)34-22)23(31)29-13-16-5-4-7-17(11-16)20-10-9-19(14-28-20)24(25,26)27/h2-12,14-15,30H,13H2,1H3,(H,29,31)
InChIKeyOCQUJPMFJQVJDY-UHFFFAOYSA-N
XLogP4.50
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.50
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide?
The IUPAC name of 2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide (CID 122696056) is 2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide.
What is the SMILES notation for 2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide?
The canonical SMILES for 2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide is CC(NS(=O)(=O)c1cc2ccccc2o1)C(=O)NCc1cccc(-c2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of 2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide?
The InChIKey is OCQUJPMFJQVJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O4S/c1-15(30-35(32,33)22-12-18-6-2-3-8-21(18)34-22)23(31)29-13-16-5-4-7-17(11-16)20-10-9-19(14-28-20)24(25,26)27/h2-12,14-15,30H,13H2,1H3,(H,29,31).
What are the key properties of 2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide?
2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide has a molecular weight of 503.50 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-ylsulfonylamino)-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]propanamide is sourced from PubChem (CID 122696056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).