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

C29H39N3O4S — CID 122472652

IUPAC5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(nonylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCCCCCCCCCNS(=O)(=O)Cc1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1C1CC1
InChIInChI=1S/C29H39N3O4S/c1-4-5-6-7-8-9-10-17-31-37(34,35)19-25-23(21-15-16-21)18-24-26(28(33)30-3)27(36-29(24)32-25)22-13-11-20(2)12-14-22/h11-14,18,21,31H,4-10,15-17,19H2,1-3H3,(H,30,33)
InChIKeyTZZZMOAOCLHCCZ-UHFFFAOYSA-N
MW525.72 g/mol
LogP6.21
Rot. Bonds14

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

5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(nonylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 122472652) has the molecular formula C29H39N3O4S and a molecular weight of 525.72 g/mol. Its IUPAC name is 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(nonylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(nonylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide
PubChem CID122472652
Molecular FormulaC29H39N3O4S
Molecular Weight525.72 g/mol
Exact Mass525.27
IUPAC Name5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(nonylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCCCCCCCCCNS(=O)(=O)Cc1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1C1CC1
InChIInChI=1S/C29H39N3O4S/c1-4-5-6-7-8-9-10-17-31-37(34,35)19-25-23(21-15-16-21)18-24-26(28(33)30-3)27(36-29(24)32-25)22-13-11-20(2)12-14-22/h11-14,18,21,31H,4-10,15-17,19H2,1-3H3,(H,30,33)
InChIKeyTZZZMOAOCLHCCZ-UHFFFAOYSA-N
XLogP6.21
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.72
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-2-(4-ethylphenyl)-6-(hexylsulfamoylmethyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 122472614
2-(4-chlorophenyl)-5-cyclopropyl-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide
CID 122472675
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-6-[[hexyl(sulfino)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine
CID 71065812
5-cyclopropyl-6-[[heptyl(sulfinato)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine
CID 71065817
2-(4-ethylphenyl)-5-iodo-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide
CID 71065838
5-[[5-cyclopropyl-2-(4-ethylphenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-6-yl]methylsulfonylamino]-2-(2-methoxyethyl)-2-methylpentanoic acid
CID 66663731
5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(5-methylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide
CID 66664414
6-(6-bromohexylsulfonylamino)-5-cyclopropyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 66663498
6-[4-[ethoxy(methyl)phosphoryl]butylsulfamoylmethyl]-5-iodo-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 66664428
5-cyclopropyl-2-(4-ethylphenyl)-6-[[hexyl(sulfinato)amino]methyl]-3-(methylcarbamoyl)furo[2,3-b]pyridine
CID 122472615
5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 54575941

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(nonylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(nonylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide (CID 122472652) is 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(nonylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(nonylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(nonylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide is CCCCCCCCCNS(=O)(=O)Cc1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(nonylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is TZZZMOAOCLHCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O4S/c1-4-5-6-7-8-9-10-17-31-37(34,35)19-25-23(21-15-16-21)18-24-26(28(33)30-3)27(36-29(24)32-25)22-13-11-20(2)12-14-22/h11-14,18,21,31H,4-10,15-17,19H2,1-3H3,(H,30,33).
What are the key properties of 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(nonylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide?
5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(nonylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 525.72 g/mol, XLogP of 6.21, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(nonylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 122472652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).