N-[[4-(2-ethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C23H20N2O4S — CID 88919820

IUPACN-[[4-(2-ethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCCc1ccccc1S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1
InChIInChI=1S/C23H20N2O4S/c1-2-17-5-3-4-6-22(17)30(27,28)19-9-7-16(8-10-19)14-25-23(26)20-13-18-11-12-24-15-21(18)29-20/h3-13,15H,2,14H2,1H3,(H,25,26)
InChIKeyIKAWZGLUFGBWKF-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.15
Rot. Bonds6

About N-[[4-(2-ethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[4-(2-ethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 88919820) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[[4-(2-ethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-ethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID88919820
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC NameN-[[4-(2-ethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCCc1ccccc1S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1
InChIInChI=1S/C23H20N2O4S/c1-2-17-5-3-4-6-22(17)30(27,28)19-9-7-16(8-10-19)14-25-23(26)20-13-18-11-12-24-15-21(18)29-20/h3-13,15H,2,14H2,1H3,(H,25,26)
InChIKeyIKAWZGLUFGBWKF-UHFFFAOYSA-N
XLogP4.15
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(2-ethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 88919820) is N-[[4-(2-ethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(2-ethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(2-ethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is CCc1ccccc1S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1.
What is the InChIKey of N-[[4-(2-ethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is IKAWZGLUFGBWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-2-17-5-3-4-6-22(17)30(27,28)19-9-7-16(8-10-19)14-25-23(26)20-13-18-11-12-24-15-21(18)29-20/h3-13,15H,2,14H2,1H3,(H,25,26).
What are the key properties of N-[[4-(2-ethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[4-(2-ethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 88919820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).