6-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-methylsulfonylamino]-5-ethyl-2-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylfuro[2,3-b]pyridine-3-carboxamide

C24H31FN4O6S2 — CID 129202706

IUPAC6-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-methylsulfonylamino]-5-ethyl-2-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
SMILESCCc1cc2c(C(=O)NC)c(C3=CCC(F)C=C3)oc2nc1N(CCCN1CCCS1(=O)=O)S(C)(=O)=O
InChIInChI=1S/C24H31FN4O6S2/c1-4-16-15-19-20(23(30)26-2)21(17-7-9-18(25)10-8-17)35-24(19)27-22(16)29(36(3,31)32)13-5-11-28-12-6-14-37(28,33)34/h7-9,15,18H,4-6,10-14H2,1-3H3,(H,26,30)
InChIKeyHQUUOEMSCXCOPJ-UHFFFAOYSA-N
MW554.67 g/mol
LogP2.62
Rot. Bonds9

About 6-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-methylsulfonylamino]-5-ethyl-2-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylfuro[2,3-b]pyridine-3-carboxamide

6-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-methylsulfonylamino]-5-ethyl-2-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylfuro[2,3-b]pyridine-3-carboxamide (PubChem CID 129202706) has the molecular formula C24H31FN4O6S2 and a molecular weight of 554.67 g/mol. Its IUPAC name is 6-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-methylsulfonylamino]-5-ethyl-2-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylfuro[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-methylsulfonylamino]-5-ethyl-2-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
PubChem CID129202706
Molecular FormulaC24H31FN4O6S2
Molecular Weight554.67 g/mol
Exact Mass554.17
IUPAC Name6-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-methylsulfonylamino]-5-ethyl-2-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
SMILESCCc1cc2c(C(=O)NC)c(C3=CCC(F)C=C3)oc2nc1N(CCCN1CCCS1(=O)=O)S(C)(=O)=O
InChIInChI=1S/C24H31FN4O6S2/c1-4-16-15-19-20(23(30)26-2)21(17-7-9-18(25)10-8-17)35-24(19)27-22(16)29(36(3,31)32)13-5-11-28-12-6-14-37(28,33)34/h7-9,15,18H,4-6,10-14H2,1-3H3,(H,26,30)
InChIKeyHQUUOEMSCXCOPJ-UHFFFAOYSA-N
XLogP2.62
TPSA129.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.67
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-methylsulfonylamino]-5-ethyl-2-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 6-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-methylsulfonylamino]-5-ethyl-2-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylfuro[2,3-b]pyridine-3-carboxamide (CID 129202706) is 6-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-methylsulfonylamino]-5-ethyl-2-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylfuro[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-methylsulfonylamino]-5-ethyl-2-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-methylsulfonylamino]-5-ethyl-2-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylfuro[2,3-b]pyridine-3-carboxamide is CCc1cc2c(C(=O)NC)c(C3=CCC(F)C=C3)oc2nc1N(CCCN1CCCS1(=O)=O)S(C)(=O)=O.
What is the InChIKey of 6-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-methylsulfonylamino]-5-ethyl-2-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The InChIKey is HQUUOEMSCXCOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O6S2/c1-4-16-15-19-20(23(30)26-2)21(17-7-9-18(25)10-8-17)35-24(19)27-22(16)29(36(3,31)32)13-5-11-28-12-6-14-37(28,33)34/h7-9,15,18H,4-6,10-14H2,1-3H3,(H,26,30).
What are the key properties of 6-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-methylsulfonylamino]-5-ethyl-2-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
6-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-methylsulfonylamino]-5-ethyl-2-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylfuro[2,3-b]pyridine-3-carboxamide has a molecular weight of 554.67 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-methylsulfonylamino]-5-ethyl-2-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylfuro[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 129202706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).