N-(1-benzofuran-2-ylsulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

C25H23FN2O5S — CID 148933138

IUPACN-(1-benzofuran-2-ylsulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc3ccccc3o2)ccn1
InChIInChI=1S/C25H23FN2O5S/c1-15(2)19-12-18(26)13-20(16-8-9-27-24(10-16)32-3)21(19)14-23(29)28-34(30,31)25-11-17-6-4-5-7-22(17)33-25/h4-13,15H,14H2,1-3H3,(H,28,29)
InChIKeyPMIKDMAPDQFFOF-UHFFFAOYSA-N
MW482.53 g/mol
LogP4.81
Rot. Bonds7

About N-(1-benzofuran-2-ylsulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide

N-(1-benzofuran-2-ylsulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (PubChem CID 148933138) has the molecular formula C25H23FN2O5S and a molecular weight of 482.53 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylsulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylsulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
PubChem CID148933138
Molecular FormulaC25H23FN2O5S
Molecular Weight482.53 g/mol
Exact Mass482.13
IUPAC NameN-(1-benzofuran-2-ylsulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
SMILESCOc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc3ccccc3o2)ccn1
InChIInChI=1S/C25H23FN2O5S/c1-15(2)19-12-18(26)13-20(16-8-9-27-24(10-16)32-3)21(19)14-23(29)28-34(30,31)25-11-17-6-4-5-7-22(17)33-25/h4-13,15H,14H2,1-3H3,(H,28,29)
InChIKeyPMIKDMAPDQFFOF-UHFFFAOYSA-N
XLogP4.81
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylsulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The IUPAC name of N-(1-benzofuran-2-ylsulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide (CID 148933138) is N-(1-benzofuran-2-ylsulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide.
What is the SMILES notation for N-(1-benzofuran-2-ylsulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The canonical SMILES for N-(1-benzofuran-2-ylsulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is COc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc3ccccc3o2)ccn1.
What is the InChIKey of N-(1-benzofuran-2-ylsulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
The InChIKey is PMIKDMAPDQFFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O5S/c1-15(2)19-12-18(26)13-20(16-8-9-27-24(10-16)32-3)21(19)14-23(29)28-34(30,31)25-11-17-6-4-5-7-22(17)33-25/h4-13,15H,14H2,1-3H3,(H,28,29).
What are the key properties of N-(1-benzofuran-2-ylsulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide?
N-(1-benzofuran-2-ylsulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide has a molecular weight of 482.53 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylsulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide is sourced from PubChem (CID 148933138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).