N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide

C66H54N18O8S4 — CID 161475707

IUPACN-(1-acetyl-2,3-dihydroindol-6-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
SMILESCC(=O)N1CCc2ccc(NC(=O)c3cccc(CSc4cnccn4)c3)cc21.Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(CSc4ncnc5[nH]ncc45)c3)cc2)no1.O=C(Nc1cccc(-c2nnco2)c1)c1cccc(CSc2ncnc3[nH]ncc23)c1
InChIInChI=1S/C23H19N7O4S2.C22H20N4O2S.C21H15N7O2S/c1-14-9-20(29-34-14)30-36(32,33)18-7-5-17(6-8-18)27-22(31)16-4-2-3-15(10-16)12-35-23-19-11-26-28-21(19)24-13-25-23;1-15(27)26-10-7-17-5-6-19(12-20(17)26)25-22(28)18-4-2-3-16(11-18)14-29-21-13-23-8-9-24-21;29-19(26-16-6-2-5-15(8-16)20-28-25-12-30-20)14-4-1-3-13(7-14)10-31-21-17-9-24-27-18(17)22-11-23-21/h2-11,13H,12H2,1H3,(H,27,31)(H,29,30)(H,24,25,26,28);2-6,8-9,11-13H,7,10,14H2,1H3,(H,25,28);1-9,11-12H,10H2,(H,26,29)(H,22,23,24,27)
InChIKeyWDRJLSOCEQRFMT-UHFFFAOYSA-N
MW1355.54 g/mol
LogP11.87
Rot. Bonds19

About N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide

N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide (PubChem CID 161475707) has the molecular formula C66H54N18O8S4 and a molecular weight of 1355.54 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-6-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
PubChem CID161475707
Molecular FormulaC66H54N18O8S4
Molecular Weight1355.54 g/mol
Exact Mass1354.33
IUPAC NameN-(1-acetyl-2,3-dihydroindol-6-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
SMILESCC(=O)N1CCc2ccc(NC(=O)c3cccc(CSc4cnccn4)c3)cc21.Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(CSc4ncnc5[nH]ncc45)c3)cc2)no1.O=C(Nc1cccc(-c2nnco2)c1)c1cccc(CSc2ncnc3[nH]ncc23)c1
InChIInChI=1S/C23H19N7O4S2.C22H20N4O2S.C21H15N7O2S/c1-14-9-20(29-34-14)30-36(32,33)18-7-5-17(6-8-18)27-22(31)16-4-2-3-15(10-16)12-35-23-19-11-26-28-21(19)24-13-25-23;1-15(27)26-10-7-17-5-6-19(12-20(17)26)25-22(28)18-4-2-3-16(11-18)14-29-21-13-23-8-9-24-21;29-19(26-16-6-2-5-15(8-16)20-28-25-12-30-20)14-4-1-3-13(7-14)10-31-21-17-9-24-27-18(17)22-11-23-21/h2-11,13H,12H2,1H3,(H,27,31)(H,29,30)(H,24,25,26,28);2-6,8-9,11-13H,7,10,14H2,1H3,(H,25,28);1-9,11-12H,10H2,(H,26,29)(H,22,23,24,27)
InChIKeyWDRJLSOCEQRFMT-UHFFFAOYSA-N
XLogP11.87
TPSA353.43 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001355.54
LogP ≤ 511.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide with MolForge

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Related Compounds

N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(4-phenylmethoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 161025044

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide (CID 161475707) is N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide is CC(=O)N1CCc2ccc(NC(=O)c3cccc(CSc4cnccn4)c3)cc21.Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(CSc4ncnc5[nH]ncc45)c3)cc2)no1.O=C(Nc1cccc(-c2nnco2)c1)c1cccc(CSc2ncnc3[nH]ncc23)c1.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide?
The InChIKey is WDRJLSOCEQRFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O4S2.C22H20N4O2S.C21H15N7O2S/c1-14-9-20(29-34-14)30-36(32,33)18-7-5-17(6-8-18)27-22(31)16-4-2-3-15(10-16)12-35-23-19-11-26-28-21(19)24-13-25-23;1-15(27)26-10-7-17-5-6-19(12-20(17)26)25-22(28)18-4-2-3-16(11-18)14-29-21-13-23-8-9-24-21;29-19(26-16-6-2-5-15(8-16)20-28-25-12-30-20)14-4-1-3-13(7-14)10-31-21-17-9-24-27-18(17)22-11-23-21/h2-11,13H,12H2,1H3,(H,27,31)(H,29,30)(H,24,25,26,28);2-6,8-9,11-13H,7,10,14H2,1H3,(H,25,28);1-9,11-12H,10H2,(H,26,29)(H,22,23,24,27).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide?
N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide has a molecular weight of 1355.54 g/mol, XLogP of 11.87, 19 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 161475707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).