N-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C23H20N2O6S — CID 90012795

IUPACN-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)c1
InChIInChI=1S/C23H20N2O6S/c1-29-17-5-8-19(30-2)22(12-17)32(27,28)18-6-3-15(4-7-18)13-25-23(26)20-11-16-9-10-24-14-21(16)31-20/h3-12,14H,13H2,1-2H3,(H,25,26)
InChIKeyIEYPBLBJJVWDRU-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.61
Rot. Bonds7

About N-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90012795) has the molecular formula C23H20N2O6S and a molecular weight of 452.49 g/mol. Its IUPAC name is N-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90012795
Molecular FormulaC23H20N2O6S
Molecular Weight452.49 g/mol
Exact Mass452.10
IUPAC NameN-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)c1
InChIInChI=1S/C23H20N2O6S/c1-29-17-5-8-19(30-2)22(12-17)32(27,28)18-6-3-15(4-7-18)13-25-23(26)20-11-16-9-10-24-14-21(16)31-20/h3-12,14H,13H2,1-2H3,(H,25,26)
InChIKeyIEYPBLBJJVWDRU-UHFFFAOYSA-N
XLogP3.61
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(2-ethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 88919820
N-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 66609129
N-[[4-[(2,5-dimethyl-3H-pyrrol-4-yl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 146220992
N-[[4-(1-methylindazol-3-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 155093945
N-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90013163
N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 66610729
N-[[4-(3,5-dimethylpiperazin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 123232842
1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene
CID 132609518
N-[[4-[(6-methyl-3-pyridinyl)sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 123203809
N-[[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 66609492
N-[[5-[(5-methyl-3-pyridinyl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 118193628
5-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046025

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90012795) is N-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is COc1ccc(OC)c(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)c1.
What is the InChIKey of N-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is IEYPBLBJJVWDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O6S/c1-29-17-5-8-19(30-2)22(12-17)32(27,28)18-6-3-15(4-7-18)13-25-23(26)20-11-16-9-10-24-14-21(16)31-20/h3-12,14H,13H2,1-2H3,(H,25,26).
What are the key properties of N-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).