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

C71H94Cl5I3N8O14S3 — CID 159682953

IUPACN-(5-acetyl-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-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]hex-5-en-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]hex-5-en-2-ylidene]-2-methylpropane-2-sulfinamide
SMILESC=CCCC(=O)COc1c(I)cc(C(C)O)nc1Cl.C=CCCC(COc1c(I)cc(C(C)O)nc1Cl)=NS(=O)C(C)(C)C.C=CCCC1(NS(=O)C(C)(C)C)COc2c1cc(C(C)=O)nc2Cl.C=CCCC1(NS(=O)C(C)(C)C)COc2c1cc(C(C)O)nc2Cl.CC(O)c1cc(I)c(O)c(Cl)n1
InChIInChI=1S/C17H24ClIN2O3S.C17H25ClN2O3S.C17H23ClN2O3S.C13H15ClINO3.C7H7ClINO2/c1-6-7-8-12(21-25(23)17(3,4)5)10-24-15-13(19)9-14(11(2)22)20-16(15)18;2*1-6-7-8-17(20-24(22)16(3,4)5)10-23-14-12(17)9-13(11(2)21)19-15(14)18;1-3-4-5-9(18)7-19-12-10(15)6-11(8(2)17)16-13(12)14;1-3(11)5-2-4(9)6(12)7(8)10-5/h6,9,11,22H,1,7-8,10H2,2-5H3;6,9,11,20-21H,1,7-8,10H2,2-5H3;6,9,20H,1,7-8,10H2,2-5H3;3,6,8,17H,1,4-5,7H2,2H3;2-3,11-12H,1H3
InChIKeyMVKVAUBUVPWEMO-UHFFFAOYSA-N
MW1937.75 g/mol
LogP16.98
Rot. Bonds28

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

N-(5-acetyl-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-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]hex-5-en-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]hex-5-en-2-ylidene]-2-methylpropane-2-sulfinamide (PubChem CID 159682953) has the molecular formula C71H94Cl5I3N8O14S3 and a molecular weight of 1937.75 g/mol. Its IUPAC name is N-(5-acetyl-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-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]hex-5-en-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]hex-5-en-2-ylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(5-acetyl-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-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]hex-5-en-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]hex-5-en-2-ylidene]-2-methylpropane-2-sulfinamide
PubChem CID159682953
Molecular FormulaC71H94Cl5I3N8O14S3
Molecular Weight1937.75 g/mol
Exact Mass1934.16
IUPAC NameN-(5-acetyl-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-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]hex-5-en-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]hex-5-en-2-ylidene]-2-methylpropane-2-sulfinamide
SMILESC=CCCC(=O)COc1c(I)cc(C(C)O)nc1Cl.C=CCCC(COc1c(I)cc(C(C)O)nc1Cl)=NS(=O)C(C)(C)C.C=CCCC1(NS(=O)C(C)(C)C)COc2c1cc(C(C)=O)nc2Cl.C=CCCC1(NS(=O)C(C)(C)C)COc2c1cc(C(C)O)nc2Cl.CC(O)c1cc(I)c(O)c(Cl)n1
InChIInChI=1S/C17H24ClIN2O3S.C17H25ClN2O3S.C17H23ClN2O3S.C13H15ClINO3.C7H7ClINO2/c1-6-7-8-12(21-25(23)17(3,4)5)10-24-15-13(19)9-14(11(2)22)20-16(15)18;2*1-6-7-8-17(20-24(22)16(3,4)5)10-23-14-12(17)9-13(11(2)21)19-15(14)18;1-3-4-5-9(18)7-19-12-10(15)6-11(8(2)17)16-13(12)14;1-3(11)5-2-4(9)6(12)7(8)10-5/h6,9,11,22H,1,7-8,10H2,2-5H3;6,9,11,20-21H,1,7-8,10H2,2-5H3;6,9,20H,1,7-8,10H2,2-5H3;3,6,8,17H,1,4-5,7H2,2H3;2-3,11-12H,1H3
InChIKeyMVKVAUBUVPWEMO-UHFFFAOYSA-N
XLogP16.98
TPSA324.29 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001937.75
LogP ≤ 516.98
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(5-acetyl-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-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]hex-5-en-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]hex-5-en-2-ylidene]-2-methylpropane-2-sulfinamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-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]hex-5-en-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]hex-5-en-2-ylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(5-acetyl-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-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]hex-5-en-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]hex-5-en-2-ylidene]-2-methylpropane-2-sulfinamide (CID 159682953) is N-(5-acetyl-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-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]hex-5-en-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]hex-5-en-2-ylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(5-acetyl-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-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]hex-5-en-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]hex-5-en-2-ylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(5-acetyl-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-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]hex-5-en-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]hex-5-en-2-ylidene]-2-methylpropane-2-sulfinamide is C=CCCC(=O)COc1c(I)cc(C(C)O)nc1Cl.C=CCCC(COc1c(I)cc(C(C)O)nc1Cl)=NS(=O)C(C)(C)C.C=CCCC1(NS(=O)C(C)(C)C)COc2c1cc(C(C)=O)nc2Cl.C=CCCC1(NS(=O)C(C)(C)C)COc2c1cc(C(C)O)nc2Cl.CC(O)c1cc(I)c(O)c(Cl)n1.
What is the InChIKey of N-(5-acetyl-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-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]hex-5-en-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]hex-5-en-2-ylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is MVKVAUBUVPWEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClIN2O3S.C17H25ClN2O3S.C17H23ClN2O3S.C13H15ClINO3.C7H7ClINO2/c1-6-7-8-12(21-25(23)17(3,4)5)10-24-15-13(19)9-14(11(2)22)20-16(15)18;2*1-6-7-8-17(20-24(22)16(3,4)5)10-23-14-12(17)9-13(11(2)21)19-15(14)18;1-3-4-5-9(18)7-19-12-10(15)6-11(8(2)17)16-13(12)14;1-3(11)5-2-4(9)6(12)7(8)10-5/h6,9,11,22H,1,7-8,10H2,2-5H3;6,9,11,20-21H,1,7-8,10H2,2-5H3;6,9,20H,1,7-8,10H2,2-5H3;3,6,8,17H,1,4-5,7H2,2H3;2-3,11-12H,1H3.
What are the key properties of N-(5-acetyl-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-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]hex-5-en-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]hex-5-en-2-ylidene]-2-methylpropane-2-sulfinamide?
N-(5-acetyl-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-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]hex-5-en-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]hex-5-en-2-ylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 1937.75 g/mol, XLogP of 16.98, 28 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-3-but-3-enyl-7-chloro-2H-furo[2,3-c]pyridin-3-yl)-2-methylpropane-2-sulfinamide;N-[3-but-3-enyl-7-chloro-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]hex-5-en-2-one;N-[1-[[2-chloro-6-(1-hydroxyethyl)-4-iodo-3-pyridinyl]oxy]hex-5-en-2-ylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 159682953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).