N-(2-methyl-1-benzofuran-5-yl)-N-(2,4,5-trimethylphenyl)sulfonylpyridine-4-carboxamide

C24H22N2O4S — CID 22332379

IUPACN-(2-methyl-1-benzofuran-5-yl)-N-(2,4,5-trimethylphenyl)sulfonylpyridine-4-carboxamide
SMILESCc1cc2cc(N(C(=O)c3ccncc3)S(=O)(=O)c3cc(C)c(C)cc3C)ccc2o1
InChIInChI=1S/C24H22N2O4S/c1-15-11-17(3)23(12-16(15)2)31(28,29)26(24(27)19-7-9-25-10-8-19)21-5-6-22-20(14-21)13-18(4)30-22/h5-14H,1-4H3
InChIKeyZQIKXWOHAPSHLR-UHFFFAOYSA-N
MW434.52 g/mol
LogP5.10
Rot. Bonds4

About N-(2-methyl-1-benzofuran-5-yl)-N-(2,4,5-trimethylphenyl)sulfonylpyridine-4-carboxamide

N-(2-methyl-1-benzofuran-5-yl)-N-(2,4,5-trimethylphenyl)sulfonylpyridine-4-carboxamide (PubChem CID 22332379) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-(2-methyl-1-benzofuran-5-yl)-N-(2,4,5-trimethylphenyl)sulfonylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-benzofuran-5-yl)-N-(2,4,5-trimethylphenyl)sulfonylpyridine-4-carboxamide
PubChem CID22332379
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC NameN-(2-methyl-1-benzofuran-5-yl)-N-(2,4,5-trimethylphenyl)sulfonylpyridine-4-carboxamide
SMILESCc1cc2cc(N(C(=O)c3ccncc3)S(=O)(=O)c3cc(C)c(C)cc3C)ccc2o1
InChIInChI=1S/C24H22N2O4S/c1-15-11-17(3)23(12-16(15)2)31(28,29)26(24(27)19-7-9-25-10-8-19)21-5-6-22-20(14-21)13-18(4)30-22/h5-14H,1-4H3
InChIKeyZQIKXWOHAPSHLR-UHFFFAOYSA-N
XLogP5.10
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-benzofuran-5-yl)-N-(2,4,5-trimethylphenyl)sulfonylpyridine-4-carboxamide?
The IUPAC name of N-(2-methyl-1-benzofuran-5-yl)-N-(2,4,5-trimethylphenyl)sulfonylpyridine-4-carboxamide (CID 22332379) is N-(2-methyl-1-benzofuran-5-yl)-N-(2,4,5-trimethylphenyl)sulfonylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-1-benzofuran-5-yl)-N-(2,4,5-trimethylphenyl)sulfonylpyridine-4-carboxamide?
The canonical SMILES for N-(2-methyl-1-benzofuran-5-yl)-N-(2,4,5-trimethylphenyl)sulfonylpyridine-4-carboxamide is Cc1cc2cc(N(C(=O)c3ccncc3)S(=O)(=O)c3cc(C)c(C)cc3C)ccc2o1.
What is the InChIKey of N-(2-methyl-1-benzofuran-5-yl)-N-(2,4,5-trimethylphenyl)sulfonylpyridine-4-carboxamide?
The InChIKey is ZQIKXWOHAPSHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-15-11-17(3)23(12-16(15)2)31(28,29)26(24(27)19-7-9-25-10-8-19)21-5-6-22-20(14-21)13-18(4)30-22/h5-14H,1-4H3.
What are the key properties of N-(2-methyl-1-benzofuran-5-yl)-N-(2,4,5-trimethylphenyl)sulfonylpyridine-4-carboxamide?
N-(2-methyl-1-benzofuran-5-yl)-N-(2,4,5-trimethylphenyl)sulfonylpyridine-4-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-benzofuran-5-yl)-N-(2,4,5-trimethylphenyl)sulfonylpyridine-4-carboxamide is sourced from PubChem (CID 22332379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).