5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(5-methylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide

C25H31N3O6S2 — CID 66664414

IUPAC5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(5-methylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NS(=O)(=O)CCCCCS(C)(=O)=O)c(C3CC3)cc12
InChIInChI=1S/C25H31N3O6S2/c1-16-7-9-18(10-8-16)22-21(24(29)26-2)20-15-19(17-11-12-17)23(27-25(20)34-22)28-36(32,33)14-6-4-5-13-35(3,30)31/h7-10,15,17H,4-6,11-14H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyLTOMVJOYXUWHRL-UHFFFAOYSA-N
MW533.67 g/mol
LogP4.00
Rot. Bonds11

About 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(5-methylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide

5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(5-methylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 66664414) has the molecular formula C25H31N3O6S2 and a molecular weight of 533.67 g/mol. Its IUPAC name is 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(5-methylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(5-methylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide
PubChem CID66664414
Molecular FormulaC25H31N3O6S2
Molecular Weight533.67 g/mol
Exact Mass533.17
IUPAC Name5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(5-methylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NS(=O)(=O)CCCCCS(C)(=O)=O)c(C3CC3)cc12
InChIInChI=1S/C25H31N3O6S2/c1-16-7-9-18(10-8-16)22-21(24(29)26-2)20-15-19(17-11-12-17)23(27-25(20)34-22)28-36(32,33)14-6-4-5-13-35(3,30)31/h7-10,15,17H,4-6,11-14H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyLTOMVJOYXUWHRL-UHFFFAOYSA-N
XLogP4.00
TPSA135.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.67
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(5-methylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

6-(6-bromohexylsulfonylamino)-5-cyclopropyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 66663498
5-cyclopropyl-6-[[(5R)-6-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-5-methyl-6-oxohexyl]sulfonylamino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 66663894
5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(nonylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide
CID 122472652
5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(methylsulfonylmethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 66663778
5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 54575941
6-[5-aminopentyl(methylsulfonyl)amino]-5-cyclopropyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 54575944
6-[4-bromobutyl(methylsulfonyl)amino]-5-cyclopropyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 54575876
5-cyclopropyl-2-(4-ethylphenyl)-6-(hexylsulfamoylmethyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 122472614
2-[3-[[5-cyclopropyl-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridin-6-yl]methylsulfonylamino]propyl]cyclopentane-1-carboxylic acid
CID 66663344
5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl-[3-(2H-tetrazol-5-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide
CID 58052436
5-ethyl-2-(4-fluorophenyl)-N-methyl-6-(5-propan-2-ylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide
CID 66664255
5-cyclopropyl-6-[[hexyl(sulfino)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine
CID 71065812

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(5-methylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(5-methylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide (CID 66664414) is 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(5-methylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(5-methylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(5-methylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NS(=O)(=O)CCCCCS(C)(=O)=O)c(C3CC3)cc12.
What is the InChIKey of 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(5-methylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is LTOMVJOYXUWHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O6S2/c1-16-7-9-18(10-8-16)22-21(24(29)26-2)20-15-19(17-11-12-17)23(27-25(20)34-22)28-36(32,33)14-6-4-5-13-35(3,30)31/h7-10,15,17H,4-6,11-14H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(5-methylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide?
5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(5-methylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 533.67 g/mol, XLogP of 4.00, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(5-methylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 66664414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).