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

C67H94Cl5I3N8O14S3 — CID 159532856

IUPACN-(5-acetyl-7-chloro-3-propan-2-yl-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]-3-methylbutan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]-3-methylbutan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC(=O)c1cc2c(c(Cl)n1)OCC2(NS(=O)C(C)(C)C)C(C)C.CC(C)C(=O)COc1c(I)cc(C(C)O)nc1Cl.CC(C)C(COc1c(I)cc(C(C)O)nc1Cl)=NS(=O)C(C)(C)C.CC(O)c1cc(I)c(O)c(Cl)n1.CC(O)c1cc2c(c(Cl)n1)OCC2(NS(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C16H24ClIN2O3S.C16H25ClN2O3S.C16H23ClN2O3S.C12H15ClINO3.C7H7ClINO2/c1-9(2)13(20-24(22)16(4,5)6)8-23-14-11(18)7-12(10(3)21)19-15(14)17;2*1-9(2)16(19-23(21)15(4,5)6)8-22-13-11(16)7-12(10(3)20)18-14(13)17;1-6(2)10(17)5-18-11-8(14)4-9(7(3)16)15-12(11)13;1-3(11)5-2-4(9)6(12)7(8)10-5/h7,9-10,21H,8H2,1-6H3;7,9-10,19-20H,8H2,1-6H3;7,9,19H,8H2,1-6H3;4,6-7,16H,5H2,1-3H3;2-3,11-12H,1H3
InChIKeyMDFJCUBTMKNGJA-UHFFFAOYSA-N
MW1889.71 g/mol
LogP15.74
Rot. Bonds20

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

N-(5-acetyl-7-chloro-3-propan-2-yl-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]-3-methylbutan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]-3-methylbutan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 159532856) has the molecular formula C67H94Cl5I3N8O14S3 and a molecular weight of 1889.71 g/mol. Its IUPAC name is N-(5-acetyl-7-chloro-3-propan-2-yl-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]-3-methylbutan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]-3-methylbutan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(5-acetyl-7-chloro-3-propan-2-yl-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]-3-methylbutan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]-3-methylbutan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
PubChem CID159532856
Molecular FormulaC67H94Cl5I3N8O14S3
Molecular Weight1889.71 g/mol
Exact Mass1886.16
IUPAC NameN-(5-acetyl-7-chloro-3-propan-2-yl-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]-3-methylbutan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]-3-methylbutan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
SMILESCC(=O)c1cc2c(c(Cl)n1)OCC2(NS(=O)C(C)(C)C)C(C)C.CC(C)C(=O)COc1c(I)cc(C(C)O)nc1Cl.CC(C)C(COc1c(I)cc(C(C)O)nc1Cl)=NS(=O)C(C)(C)C.CC(O)c1cc(I)c(O)c(Cl)n1.CC(O)c1cc2c(c(Cl)n1)OCC2(NS(=O)C(C)(C)C)C(C)C
InChIInChI=1S/C16H24ClIN2O3S.C16H25ClN2O3S.C16H23ClN2O3S.C12H15ClINO3.C7H7ClINO2/c1-9(2)13(20-24(22)16(4,5)6)8-23-14-11(18)7-12(10(3)21)19-15(14)17;2*1-9(2)16(19-23(21)15(4,5)6)8-22-13-11(16)7-12(10(3)20)18-14(13)17;1-6(2)10(17)5-18-11-8(14)4-9(7(3)16)15-12(11)13;1-3(11)5-2-4(9)6(12)7(8)10-5/h7,9-10,21H,8H2,1-6H3;7,9-10,19-20H,8H2,1-6H3;7,9,19H,8H2,1-6H3;4,6-7,16H,5H2,1-3H3;2-3,11-12H,1H3
InChIKeyMDFJCUBTMKNGJA-UHFFFAOYSA-N
XLogP15.74
TPSA324.29 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001889.71
LogP ≤ 515.74
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-propan-2-yl-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]-3-methylbutan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]-3-methylbutan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-7-chloro-3-propan-2-yl-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]-3-methylbutan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]-3-methylbutan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(5-acetyl-7-chloro-3-propan-2-yl-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]-3-methylbutan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]-3-methylbutan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (CID 159532856) is N-(5-acetyl-7-chloro-3-propan-2-yl-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]-3-methylbutan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]-3-methylbutan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(5-acetyl-7-chloro-3-propan-2-yl-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]-3-methylbutan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]-3-methylbutan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(5-acetyl-7-chloro-3-propan-2-yl-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]-3-methylbutan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]-3-methylbutan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide is CC(=O)c1cc2c(c(Cl)n1)OCC2(NS(=O)C(C)(C)C)C(C)C.CC(C)C(=O)COc1c(I)cc(C(C)O)nc1Cl.CC(C)C(COc1c(I)cc(C(C)O)nc1Cl)=NS(=O)C(C)(C)C.CC(O)c1cc(I)c(O)c(Cl)n1.CC(O)c1cc2c(c(Cl)n1)OCC2(NS(=O)C(C)(C)C)C(C)C.
What is the InChIKey of N-(5-acetyl-7-chloro-3-propan-2-yl-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]-3-methylbutan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]-3-methylbutan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is MDFJCUBTMKNGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClIN2O3S.C16H25ClN2O3S.C16H23ClN2O3S.C12H15ClINO3.C7H7ClINO2/c1-9(2)13(20-24(22)16(4,5)6)8-23-14-11(18)7-12(10(3)21)19-15(14)17;2*1-9(2)16(19-23(21)15(4,5)6)8-22-13-11(16)7-12(10(3)20)18-14(13)17;1-6(2)10(17)5-18-11-8(14)4-9(7(3)16)15-12(11)13;1-3(11)5-2-4(9)6(12)7(8)10-5/h7,9-10,21H,8H2,1-6H3;7,9-10,19-20H,8H2,1-6H3;7,9,19H,8H2,1-6H3;4,6-7,16H,5H2,1-3H3;2-3,11-12H,1H3.
What are the key properties of N-(5-acetyl-7-chloro-3-propan-2-yl-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]-3-methylbutan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]-3-methylbutan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?
N-(5-acetyl-7-chloro-3-propan-2-yl-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]-3-methylbutan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]-3-methylbutan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 1889.71 g/mol, XLogP of 15.74, 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-propan-2-yl-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]-3-methylbutan-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]-3-methylbutan-2-ylidene]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-(1-hydroxyethyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 159532856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).