N-[2-(4-fluorophenyl)-5-iodofuro[2,3-b]pyridin-6-yl]-N-pent-4-enylmethanesulfonamide

C19H18FIN2O3S — CID 141318375

IUPACN-[2-(4-fluorophenyl)-5-iodofuro[2,3-b]pyridin-6-yl]-N-pent-4-enylmethanesulfonamide
SMILESC=CCCCN(c1nc2oc(-c3ccc(F)cc3)cc2cc1I)S(C)(=O)=O
InChIInChI=1S/C19H18FIN2O3S/c1-3-4-5-10-23(27(2,24)25)18-16(21)11-14-12-17(26-19(14)22-18)13-6-8-15(20)9-7-13/h3,6-9,11-12H,1,4-5,10H2,2H3
InChIKeyCPTCOZKCUJEROJ-UHFFFAOYSA-N
MW500.33 g/mol
LogP4.97
Rot. Bonds7

About N-[2-(4-fluorophenyl)-5-iodofuro[2,3-b]pyridin-6-yl]-N-pent-4-enylmethanesulfonamide

N-[2-(4-fluorophenyl)-5-iodofuro[2,3-b]pyridin-6-yl]-N-pent-4-enylmethanesulfonamide (PubChem CID 141318375) has the molecular formula C19H18FIN2O3S and a molecular weight of 500.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-5-iodofuro[2,3-b]pyridin-6-yl]-N-pent-4-enylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-5-iodofuro[2,3-b]pyridin-6-yl]-N-pent-4-enylmethanesulfonamide
PubChem CID141318375
Molecular FormulaC19H18FIN2O3S
Molecular Weight500.33 g/mol
Exact Mass500.01
IUPAC NameN-[2-(4-fluorophenyl)-5-iodofuro[2,3-b]pyridin-6-yl]-N-pent-4-enylmethanesulfonamide
SMILESC=CCCCN(c1nc2oc(-c3ccc(F)cc3)cc2cc1I)S(C)(=O)=O
InChIInChI=1S/C19H18FIN2O3S/c1-3-4-5-10-23(27(2,24)25)18-16(21)11-14-12-17(26-19(14)22-18)13-6-8-15(20)9-7-13/h3,6-9,11-12H,1,4-5,10H2,2H3
InChIKeyCPTCOZKCUJEROJ-UHFFFAOYSA-N
XLogP4.97
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.33
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[but-3-enyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-(iodomethyl)furo[2,3-b]pyridine-3-carboxamide
CID 123670297
carbamoyl 2-(4-fluorophenyl)-5-iodo-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxylate
CID 123342774
2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide
CID 54575257
ethyl 2-(4-fluorophenyl)-5-methyl-6-[methylsulfonyl(pent-4-enyl)amino]-1-benzofuran-3-carboxylate
CID 88981494
5-ethenyl-2-(4-fluorophenyl)-6-[hexyl(methylsulfonyl)amino]-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 157183968
2-(4-fluorophenyl)-5-(iodomethyl)-6-[methylsulfonyl(4-methylsulfonylbutyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 123526694
2-(4-fluorophenyl)-N,5-dimethyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide
CID 123380976
2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methylsulfonyl-[2-[(2-nitrophenyl)sulfonylamino]ethyl]amino]furo[2,3-b]pyridine-3-carboxamide
CID 66663625
6-[4-[ethoxy(methyl)phosphoryl]butyl-methylsulfonylamino]-2-(4-ethylphenyl)-5-iodo-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 58052454
ethyl 6-[but-3-enyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-hydroxy-1-benzofuran-3-carboxylate
CID 88981485
6-[[5-(dimethylamino)-5-oxopentyl]-methylsulfonylamino]-5-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 54575746
5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[3-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)propyl-methylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide
CID 88899409

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-5-iodofuro[2,3-b]pyridin-6-yl]-N-pent-4-enylmethanesulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)-5-iodofuro[2,3-b]pyridin-6-yl]-N-pent-4-enylmethanesulfonamide (CID 141318375) is N-[2-(4-fluorophenyl)-5-iodofuro[2,3-b]pyridin-6-yl]-N-pent-4-enylmethanesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-5-iodofuro[2,3-b]pyridin-6-yl]-N-pent-4-enylmethanesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-5-iodofuro[2,3-b]pyridin-6-yl]-N-pent-4-enylmethanesulfonamide is C=CCCCN(c1nc2oc(-c3ccc(F)cc3)cc2cc1I)S(C)(=O)=O.
What is the InChIKey of N-[2-(4-fluorophenyl)-5-iodofuro[2,3-b]pyridin-6-yl]-N-pent-4-enylmethanesulfonamide?
The InChIKey is CPTCOZKCUJEROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FIN2O3S/c1-3-4-5-10-23(27(2,24)25)18-16(21)11-14-12-17(26-19(14)22-18)13-6-8-15(20)9-7-13/h3,6-9,11-12H,1,4-5,10H2,2H3.
What are the key properties of N-[2-(4-fluorophenyl)-5-iodofuro[2,3-b]pyridin-6-yl]-N-pent-4-enylmethanesulfonamide?
N-[2-(4-fluorophenyl)-5-iodofuro[2,3-b]pyridin-6-yl]-N-pent-4-enylmethanesulfonamide has a molecular weight of 500.33 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-5-iodofuro[2,3-b]pyridin-6-yl]-N-pent-4-enylmethanesulfonamide is sourced from PubChem (CID 141318375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).