N-(5-acetyl-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;methane

C68H106Cl5I3N8O14S3 — CID 157382339

IUPACN-(5-acetyl-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;methane
SMILESC.C.C.C.C.CC(O)c1cc(I)c(O)c(Cl)n1.CCC(=O)COc1c(I)cc(C(C)O)nc1Cl.CCC(COc1c(I)cc(C(C)O)nc1Cl)=NS(=O)C(C)(C)C.CCC1(NS(=O)C(C)(C)C)COc2c1cc(C(C)=O)nc2Cl.CCC1(NS(=O)C(C)(C)C)COc2c1cc(C(C)O)nc2Cl
InChIInChI=1S/C15H22ClIN2O3S.C15H23ClN2O3S.C15H21ClN2O3S.C11H13ClINO3.C7H7ClINO2.5CH4/c1-6-10(19-23(21)15(3,4)5)8-22-13-11(17)7-12(9(2)20)18-14(13)16;2*1-6-15(18-22(20)14(3,4)5)8-21-12-10(15)7-11(9(2)19)17-13(12)16;1-3-7(16)5-17-10-8(13)4-9(6(2)15)14-11(10)12;1-3(11)5-2-4(9)6(12)7(8)10-5;;;;;/h7,9,20H,6,8H2,1-5H3;7,9,18-19H,6,8H2,1-5H3;7,18H,6,8H2,1-5H3;4,6,15H,3,5H2,1-2H3;2-3,11-12H,1H3;5*1H4
InChIKeyBLAJYKPXXNQPQZ-UHFFFAOYSA-N
MW1913.82 g/mol
LogP17.94
Rot. Bonds20

About N-(5-acetyl-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;methane

N-(5-acetyl-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;methane (PubChem CID 157382339) has the molecular formula C68H106Cl5I3N8O14S3 and a molecular weight of 1913.82 g/mol. Its IUPAC name is N-(5-acetyl-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;methane.

Molecular Properties

Compound NameN-(5-acetyl-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;methane
PubChem CID157382339
Molecular FormulaC68H106Cl5I3N8O14S3
Molecular Weight1913.82 g/mol
Exact Mass1910.26
IUPAC NameN-(5-acetyl-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;methane
SMILESC.C.C.C.C.CC(O)c1cc(I)c(O)c(Cl)n1.CCC(=O)COc1c(I)cc(C(C)O)nc1Cl.CCC(COc1c(I)cc(C(C)O)nc1Cl)=NS(=O)C(C)(C)C.CCC1(NS(=O)C(C)(C)C)COc2c1cc(C(C)=O)nc2Cl.CCC1(NS(=O)C(C)(C)C)COc2c1cc(C(C)O)nc2Cl
InChIInChI=1S/C15H22ClIN2O3S.C15H23ClN2O3S.C15H21ClN2O3S.C11H13ClINO3.C7H7ClINO2.5CH4/c1-6-10(19-23(21)15(3,4)5)8-22-13-11(17)7-12(9(2)20)18-14(13)16;2*1-6-15(18-22(20)14(3,4)5)8-21-12-10(15)7-11(9(2)19)17-13(12)16;1-3-7(16)5-17-10-8(13)4-9(6(2)15)14-11(10)12;1-3(11)5-2-4(9)6(12)7(8)10-5;;;;;/h7,9,20H,6,8H2,1-5H3;7,9,18-19H,6,8H2,1-5H3;7,18H,6,8H2,1-5H3;4,6,15H,3,5H2,1-2H3;2-3,11-12H,1H3;5*1H4
InChIKeyBLAJYKPXXNQPQZ-UHFFFAOYSA-N
XLogP17.94
TPSA324.29 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001913.82
LogP ≤ 517.94
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(5-acetyl-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;methane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;methane?
The IUPAC name of N-(5-acetyl-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;methane (CID 157382339) is N-(5-acetyl-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;methane.
What is the SMILES notation for N-(5-acetyl-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;methane?
The canonical SMILES for N-(5-acetyl-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;methane is C.C.C.C.C.CC(O)c1cc(I)c(O)c(Cl)n1.CCC(=O)COc1c(I)cc(C(C)O)nc1Cl.CCC(COc1c(I)cc(C(C)O)nc1Cl)=NS(=O)C(C)(C)C.CCC1(NS(=O)C(C)(C)C)COc2c1cc(C(C)=O)nc2Cl.CCC1(NS(=O)C(C)(C)C)COc2c1cc(C(C)O)nc2Cl.
What is the InChIKey of N-(5-acetyl-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;methane?
The InChIKey is BLAJYKPXXNQPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClIN2O3S.C15H23ClN2O3S.C15H21ClN2O3S.C11H13ClINO3.C7H7ClINO2.5CH4/c1-6-10(19-23(21)15(3,4)5)8-22-13-11(17)7-12(9(2)20)18-14(13)16;2*1-6-15(18-22(20)14(3,4)5)8-21-12-10(15)7-11(9(2)19)17-13(12)16;1-3-7(16)5-17-10-8(13)4-9(6(2)15)14-11(10)12;1-3(11)5-2-4(9)6(12)7(8)10-5;;;;;/h7,9,20H,6,8H2,1-5H3;7,9,18-19H,6,8H2,1-5H3;7,18H,6,8H2,1-5H3;4,6,15H,3,5H2,1-2H3;2-3,11-12H,1H3;5*1H4.
What are the key properties of N-(5-acetyl-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;methane?
N-(5-acetyl-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;methane has a molecular weight of 1913.82 g/mol, XLogP of 17.94, 20 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[7-chloro-3-ethyl-5-(1-hydroxyethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;2-chloro-6-(1-hydroxyethyl)-4-iodopyridin-3-ol;1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]butan-2-ylidene]-2-methylpropane-2-sulfinamide;methane is sourced from PubChem (CID 157382339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).