N-[[4-(3,5-dimethylpiperazin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C21H24N4O4S — CID 123232842

IUPACN-[[4-(3,5-dimethylpiperazin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCC1CN(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)CC(C)N1
InChIInChI=1S/C21H24N4O4S/c1-14-12-25(13-15(2)24-14)30(27,28)18-5-3-16(4-6-18)10-23-21(26)19-9-17-7-8-22-11-20(17)29-19/h3-9,11,14-15,24H,10,12-13H2,1-2H3,(H,23,26)
InChIKeyRAZDBQQACUROPS-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.13
Rot. Bonds5

About N-[[4-(3,5-dimethylpiperazin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[4-(3,5-dimethylpiperazin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 123232842) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[[4-(3,5-dimethylpiperazin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(3,5-dimethylpiperazin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID123232842
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC NameN-[[4-(3,5-dimethylpiperazin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESCC1CN(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)CC(C)N1
InChIInChI=1S/C21H24N4O4S/c1-14-12-25(13-15(2)24-14)30(27,28)18-5-3-16(4-6-18)10-23-21(26)19-9-17-7-8-22-11-20(17)29-19/h3-9,11,14-15,24H,10,12-13H2,1-2H3,(H,23,26)
InChIKeyRAZDBQQACUROPS-UHFFFAOYSA-N
XLogP2.13
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-(3,5-dimethylpiperazin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[[4-[(2,5-dimethyl-3H-pyrrol-4-yl)sulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 146220992
N-[[4-(2-ethylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 88919820
N-[[4-[4-[ethyl(oxan-4-yl)amino]butan-2-ylsulfonyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 123785710
N-[[4-(2-chloro-4-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 66609129
N-[[4-(1-methylindazol-3-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 155093945
N-[[4-(3-piperidin-1-ylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 66610729
N-[[4-(2,5-dimethoxyphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90012795
N-[[4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 90013163
N-[[4-[(6-methyl-3-pyridinyl)sulfanyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 123203809
N-[[5-[(5-methyl-3-pyridinyl)sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 118193628
N-[(5-cyclohexylsulfonyl-2-pyridinyl)methyl]furo[2,3-c]pyridine-2-carboxamide
CID 118193575
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 22668169

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dimethylpiperazin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(3,5-dimethylpiperazin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 123232842) is N-[[4-(3,5-dimethylpiperazin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(3,5-dimethylpiperazin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(3,5-dimethylpiperazin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is CC1CN(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)CC(C)N1.
What is the InChIKey of N-[[4-(3,5-dimethylpiperazin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is RAZDBQQACUROPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-14-12-25(13-15(2)24-14)30(27,28)18-5-3-16(4-6-18)10-23-21(26)19-9-17-7-8-22-11-20(17)29-19/h3-9,11,14-15,24H,10,12-13H2,1-2H3,(H,23,26).
What are the key properties of N-[[4-(3,5-dimethylpiperazin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[4-(3,5-dimethylpiperazin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dimethylpiperazin-1-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 123232842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).