6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-(oxiran-2-ylmethyl)furo[2,3-b]pyridine-3-carboxamide

C20H20FN3O5S — CID 87095835

IUPAC6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-(oxiran-2-ylmethyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCCS(=O)(=O)Nc1nc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1CC1CO1
InChIInChI=1S/C20H20FN3O5S/c1-3-30(26,27)24-18-12(8-14-10-28-14)9-15-16(19(25)22-2)17(29-20(15)23-18)11-4-6-13(21)7-5-11/h4-7,9,14H,3,8,10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyKSZYAGKVPBQJAH-UHFFFAOYSA-N
MW433.46 g/mol
LogP2.70
Rot. Bonds7

About 6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-(oxiran-2-ylmethyl)furo[2,3-b]pyridine-3-carboxamide

6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-(oxiran-2-ylmethyl)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 87095835) has the molecular formula C20H20FN3O5S and a molecular weight of 433.46 g/mol. Its IUPAC name is 6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-(oxiran-2-ylmethyl)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-(oxiran-2-ylmethyl)furo[2,3-b]pyridine-3-carboxamide
PubChem CID87095835
Molecular FormulaC20H20FN3O5S
Molecular Weight433.46 g/mol
Exact Mass433.11
IUPAC Name6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-(oxiran-2-ylmethyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCCS(=O)(=O)Nc1nc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1CC1CO1
InChIInChI=1S/C20H20FN3O5S/c1-3-30(26,27)24-18-12(8-14-10-28-14)9-15-16(19(25)22-2)17(29-20(15)23-18)11-4-6-13(21)7-5-11/h4-7,9,14H,3,8,10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyKSZYAGKVPBQJAH-UHFFFAOYSA-N
XLogP2.70
TPSA113.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(propylsulfonylamino)furo[2,3-b]pyridin-5-yl]butanoic acid
CID 66663684
5-ethyl-2-(4-fluorophenyl)-N-methyl-6-(5-propan-2-ylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide
CID 66664255
5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(methylsulfonylmethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 66663778
5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-(2-oxopyrrolidin-1-yl)butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide
CID 66663875
5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-[(2-methylphenyl)sulfonylamino]butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide
CID 66663109
5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide
CID 66663372
5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(5-methylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide
CID 66664414
6-(ethylsulfonylamino)-5-[1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 138488585
6-[[5-(dimethylamino)-5-oxopentyl]-methylsulfonylamino]-5-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 54575746
6-(6-bromohexylsulfonylamino)-5-cyclopropyl-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
CID 66663498
5-(4-cyanophenyl)-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 71140107
5-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 129090697

Frequently Asked Questions

What is the IUPAC name of 6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-(oxiran-2-ylmethyl)furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-(oxiran-2-ylmethyl)furo[2,3-b]pyridine-3-carboxamide (CID 87095835) is 6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-(oxiran-2-ylmethyl)furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-(oxiran-2-ylmethyl)furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-(oxiran-2-ylmethyl)furo[2,3-b]pyridine-3-carboxamide is CCS(=O)(=O)Nc1nc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1CC1CO1.
What is the InChIKey of 6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-(oxiran-2-ylmethyl)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is KSZYAGKVPBQJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O5S/c1-3-30(26,27)24-18-12(8-14-10-28-14)9-15-16(19(25)22-2)17(29-20(15)23-18)11-4-6-13(21)7-5-11/h4-7,9,14H,3,8,10H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-(oxiran-2-ylmethyl)furo[2,3-b]pyridine-3-carboxamide?
6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-(oxiran-2-ylmethyl)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 433.46 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-(oxiran-2-ylmethyl)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 87095835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).