5-cyclopropyl-6-[[hexyl(sulfino)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine

C26H33N3O4S — CID 71065812

IUPAC5-cyclopropyl-6-[[hexyl(sulfino)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine
SMILESCCCCCCN(Cc1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1C1CC1)S(=O)O
InChIInChI=1S/C26H33N3O4S/c1-4-5-6-7-14-29(34(31)32)16-22-20(18-12-13-18)15-21-23(25(30)27-3)24(33-26(21)28-22)19-10-8-17(2)9-11-19/h8-11,15,18H,4-7,12-14,16H2,1-3H3,(H,27,30)(H,31,32)
InChIKeyYLLGQINLPMASMJ-UHFFFAOYSA-N
MW483.63 g/mol
LogP5.56
Rot. Bonds11

About 5-cyclopropyl-6-[[hexyl(sulfino)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine

5-cyclopropyl-6-[[hexyl(sulfino)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine (PubChem CID 71065812) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is 5-cyclopropyl-6-[[hexyl(sulfino)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine.

Molecular Properties

Compound Name5-cyclopropyl-6-[[hexyl(sulfino)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine
PubChem CID71065812
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC Name5-cyclopropyl-6-[[hexyl(sulfino)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine
SMILESCCCCCCN(Cc1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1C1CC1)S(=O)O
InChIInChI=1S/C26H33N3O4S/c1-4-5-6-7-14-29(34(31)32)16-22-20(18-12-13-18)15-21-23(25(30)27-3)24(33-26(21)28-22)19-10-8-17(2)9-11-19/h8-11,15,18H,4-7,12-14,16H2,1-3H3,(H,27,30)(H,31,32)
InChIKeyYLLGQINLPMASMJ-UHFFFAOYSA-N
XLogP5.56
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.63
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-cyclopropyl-6-[[hexyl(sulfino)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclopropyl-6-[[heptyl(sulfinato)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine
CID 71065817
5-cyclopropyl-2-(4-ethylphenyl)-6-[[hexyl(sulfinato)amino]methyl]-3-(methylcarbamoyl)furo[2,3-b]pyridine
CID 122472615
5-[[5-cyclopropyl-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridin-6-yl]methyl-sulfinoamino]-2-(methoxymethyl)pentanoic acid
CID 77160029
5-cyclopropyl-2-(4-fluorophenyl)-6-[[(5-methoxy-5-oxopentyl)-sulfinoamino]methyl]-3-(methylcarbamoyl)furo[2,3-b]pyridine
CID 66663483
6-[[3-(1-acetyl-4-carboxyoxypiperidin-4-yl)propyl-sulfinoamino]methyl]-5-cyclopropyl-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine
CID 122472649
2-[[(2R)-5-[[5-cyclopropyl-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridin-6-yl]methyl-sulfinoamino]-2-methylpentanoyl]amino]-2-phenylacetic acid
CID 122472586
6-[[(5-carboxy-6-oxoheptyl)-sulfinatoamino]methyl]-5-cyclopropyl-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine
CID 123173472
6-[[3-(3-carboxypropylamino)propyl-sulfinatoamino]methyl]-5-cyclopropyl-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine
CID 66664044
5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(nonylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide
CID 122472652
6-[[4-(4-carboxyoxyoxan-4-yl)butyl-sulfinoamino]methyl]-5-cyclopropyl-2-(4-ethylphenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridine
CID 122472687
6-[[4-carboxybutyl(sulfinato)amino]methyl]-5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridine
CID 66663905
5-cyclopropyl-6-[[[5-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-methyl-5-oxopentyl]-sulfinatoamino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine
CID 77160025

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-[[hexyl(sulfino)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine?
The IUPAC name of 5-cyclopropyl-6-[[hexyl(sulfino)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine (CID 71065812) is 5-cyclopropyl-6-[[hexyl(sulfino)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine.
What is the SMILES notation for 5-cyclopropyl-6-[[hexyl(sulfino)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine?
The canonical SMILES for 5-cyclopropyl-6-[[hexyl(sulfino)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine is CCCCCCN(Cc1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1C1CC1)S(=O)O.
What is the InChIKey of 5-cyclopropyl-6-[[hexyl(sulfino)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine?
The InChIKey is YLLGQINLPMASMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-4-5-6-7-14-29(34(31)32)16-22-20(18-12-13-18)15-21-23(25(30)27-3)24(33-26(21)28-22)19-10-8-17(2)9-11-19/h8-11,15,18H,4-7,12-14,16H2,1-3H3,(H,27,30)(H,31,32).
What are the key properties of 5-cyclopropyl-6-[[hexyl(sulfino)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine?
5-cyclopropyl-6-[[hexyl(sulfino)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine has a molecular weight of 483.63 g/mol, XLogP of 5.56, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-[[hexyl(sulfino)amino]methyl]-3-(methylcarbamoyl)-2-(4-methylphenyl)furo[2,3-b]pyridine is sourced from PubChem (CID 71065812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).