5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-[(2-methylphenyl)sulfonylamino]butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide

C28H31FN4O6S2 — CID 66663109

IUPAC5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-[(2-methylphenyl)sulfonylamino]butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide
SMILESCCc1cc2c(C(=O)NC)c(-c3ccc(F)cc3)oc2nc1NS(=O)(=O)CCCCNS(=O)(=O)c1ccccc1C
InChIInChI=1S/C28H31FN4O6S2/c1-4-19-17-22-24(27(34)30-3)25(20-11-13-21(29)14-12-20)39-28(22)32-26(19)33-40(35,36)16-8-7-15-31-41(37,38)23-10-6-5-9-18(23)2/h5-6,9-14,17,31H,4,7-8,15-16H2,1-3H3,(H,30,34)(H,32,33)
InChIKeyJALAMDBCTJSCJL-UHFFFAOYSA-N
MW602.71 g/mol
LogP4.36
Rot. Bonds12

About 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-[(2-methylphenyl)sulfonylamino]butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide

5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-[(2-methylphenyl)sulfonylamino]butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide (PubChem CID 66663109) has the molecular formula C28H31FN4O6S2 and a molecular weight of 602.71 g/mol. Its IUPAC name is 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-[(2-methylphenyl)sulfonylamino]butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-[(2-methylphenyl)sulfonylamino]butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide
PubChem CID66663109
Molecular FormulaC28H31FN4O6S2
Molecular Weight602.71 g/mol
Exact Mass602.17
IUPAC Name5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-[(2-methylphenyl)sulfonylamino]butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide
SMILESCCc1cc2c(C(=O)NC)c(-c3ccc(F)cc3)oc2nc1NS(=O)(=O)CCCCNS(=O)(=O)c1ccccc1C
InChIInChI=1S/C28H31FN4O6S2/c1-4-19-17-22-24(27(34)30-3)25(20-11-13-21(29)14-12-20)39-28(22)32-26(19)33-40(35,36)16-8-7-15-31-41(37,38)23-10-6-5-9-18(23)2/h5-6,9-14,17,31H,4,7-8,15-16H2,1-3H3,(H,30,34)(H,32,33)
InChIKeyJALAMDBCTJSCJL-UHFFFAOYSA-N
XLogP4.36
TPSA147.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.71
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-(4-fluorophenyl)-N-methyl-6-(5-propan-2-ylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide
CID 66664255
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-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-(2-oxopyrrolidin-1-yl)butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide
CID 66663875
4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(propylsulfonylamino)furo[2,3-b]pyridin-5-yl]butanoic acid
CID 66663684
6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-(oxiran-2-ylmethyl)furo[2,3-b]pyridine-3-carboxamide
CID 87095835
2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methylsulfonyl-[2-[(2-nitrophenyl)sulfonylamino]ethyl]amino]furo[2,3-b]pyridine-3-carboxamide
CID 66663625
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
2-(4-fluorophenyl)-N-methyl-6-[[(3S)-3-phenylmethoxypent-4-enyl]sulfonylamino]-5-prop-1-en-2-ylfuro[2,3-b]pyridine-3-carboxamide
CID 66663979
6-[[5-(dimethylamino)-5-oxopentyl]-methylsulfonylamino]-5-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 54575746
2-(4-ethylphenyl)-5-iodo-N-methyl-6-(pentylsulfamoylmethyl)furo[2,3-b]pyridine-3-carboxamide
CID 71065838
6-(4-cyanobutylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-phenyl-1-benzofuran-3-carboxamide
CID 71140160

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-[(2-methylphenyl)sulfonylamino]butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-[(2-methylphenyl)sulfonylamino]butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide (CID 66663109) is 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-[(2-methylphenyl)sulfonylamino]butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-[(2-methylphenyl)sulfonylamino]butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-[(2-methylphenyl)sulfonylamino]butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide is CCc1cc2c(C(=O)NC)c(-c3ccc(F)cc3)oc2nc1NS(=O)(=O)CCCCNS(=O)(=O)c1ccccc1C.
What is the InChIKey of 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-[(2-methylphenyl)sulfonylamino]butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is JALAMDBCTJSCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O6S2/c1-4-19-17-22-24(27(34)30-3)25(20-11-13-21(29)14-12-20)39-28(22)32-26(19)33-40(35,36)16-8-7-15-31-41(37,38)23-10-6-5-9-18(23)2/h5-6,9-14,17,31H,4,7-8,15-16H2,1-3H3,(H,30,34)(H,32,33).
What are the key properties of 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-[(2-methylphenyl)sulfonylamino]butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide?
5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-[(2-methylphenyl)sulfonylamino]butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 602.71 g/mol, XLogP of 4.36, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-[(2-methylphenyl)sulfonylamino]butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 66663109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).