2-(1,3-dimethylindazol-6-yl)sulfanyl-N-methylbenzamide;2-(1H-indazol-6-ylsulfanyl)-N-methylbenzamide;N-methyl-2-[(3-methyl-2H-indazol-6-yl)sulfanyl]benzamide;N-methyl-2-[1-methyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanylbenzamide

C71H65N13O4S4 — CID 159302326

IUPAC2-(1,3-dimethylindazol-6-yl)sulfanyl-N-methylbenzamide;2-(1H-indazol-6-ylsulfanyl)-N-methylbenzamide;N-methyl-2-[(3-methyl-2H-indazol-6-yl)sulfanyl]benzamide;N-methyl-2-[1-methyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanylbenzamide
SMILESCNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)nn(C)c2c1.CNC(=O)c1ccccc1Sc1ccc2c(C)[nH]nc2c1.CNC(=O)c1ccccc1Sc1ccc2c(C)nn(C)c2c1.CNC(=O)c1ccccc1Sc1ccc2cn[nH]c2c1
InChIInChI=1S/C23H20N4OS.C17H17N3OS.C16H15N3OS.C15H13N3OS/c1-24-23(28)19-8-3-4-9-22(19)29-17-11-12-18-20(26-27(2)21(18)15-17)13-10-16-7-5-6-14-25-16;1-11-13-9-8-12(10-15(13)20(3)19-11)22-16-7-5-4-6-14(16)17(21)18-2;1-10-12-8-7-11(9-14(12)19-18-10)21-15-6-4-3-5-13(15)16(20)17-2;1-16-15(19)12-4-2-3-5-14(12)20-11-7-6-10-9-17-18-13(10)8-11/h3-15H,1-2H3,(H,24,28);4-10H,1-3H3,(H,18,21);3-9H,1-2H3,(H,17,20)(H,18,19);2-9H,1H3,(H,16,19)(H,17,18)/b13-10+;;;
InChIKeyLBMJYBVPVZYCAD-SAOBJNJYSA-N
MW1292.66 g/mol
LogP14.50
Rot. Bonds14

About 2-(1,3-dimethylindazol-6-yl)sulfanyl-N-methylbenzamide;2-(1H-indazol-6-ylsulfanyl)-N-methylbenzamide;N-methyl-2-[(3-methyl-2H-indazol-6-yl)sulfanyl]benzamide;N-methyl-2-[1-methyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanylbenzamide

2-(1,3-dimethylindazol-6-yl)sulfanyl-N-methylbenzamide;2-(1H-indazol-6-ylsulfanyl)-N-methylbenzamide;N-methyl-2-[(3-methyl-2H-indazol-6-yl)sulfanyl]benzamide;N-methyl-2-[1-methyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanylbenzamide (PubChem CID 159302326) has the molecular formula C71H65N13O4S4 and a molecular weight of 1292.66 g/mol. Its IUPAC name is 2-(1,3-dimethylindazol-6-yl)sulfanyl-N-methylbenzamide;2-(1H-indazol-6-ylsulfanyl)-N-methylbenzamide;N-methyl-2-[(3-methyl-2H-indazol-6-yl)sulfanyl]benzamide;N-methyl-2-[1-methyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanylbenzamide.

Molecular Properties

Compound Name2-(1,3-dimethylindazol-6-yl)sulfanyl-N-methylbenzamide;2-(1H-indazol-6-ylsulfanyl)-N-methylbenzamide;N-methyl-2-[(3-methyl-2H-indazol-6-yl)sulfanyl]benzamide;N-methyl-2-[1-methyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanylbenzamide
PubChem CID159302326
Molecular FormulaC71H65N13O4S4
Molecular Weight1292.66 g/mol
Exact Mass1291.42
IUPAC Name2-(1,3-dimethylindazol-6-yl)sulfanyl-N-methylbenzamide;2-(1H-indazol-6-ylsulfanyl)-N-methylbenzamide;N-methyl-2-[(3-methyl-2H-indazol-6-yl)sulfanyl]benzamide;N-methyl-2-[1-methyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanylbenzamide
SMILESCNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)nn(C)c2c1.CNC(=O)c1ccccc1Sc1ccc2c(C)[nH]nc2c1.CNC(=O)c1ccccc1Sc1ccc2c(C)nn(C)c2c1.CNC(=O)c1ccccc1Sc1ccc2cn[nH]c2c1
InChIInChI=1S/C23H20N4OS.C17H17N3OS.C16H15N3OS.C15H13N3OS/c1-24-23(28)19-8-3-4-9-22(19)29-17-11-12-18-20(26-27(2)21(18)15-17)13-10-16-7-5-6-14-25-16;1-11-13-9-8-12(10-15(13)20(3)19-11)22-16-7-5-4-6-14(16)17(21)18-2;1-10-12-8-7-11(9-14(12)19-18-10)21-15-6-4-3-5-13(15)16(20)17-2;1-16-15(19)12-4-2-3-5-14(12)20-11-7-6-10-9-17-18-13(10)8-11/h3-15H,1-2H3,(H,24,28);4-10H,1-3H3,(H,18,21);3-9H,1-2H3,(H,17,20)(H,18,19);2-9H,1H3,(H,16,19)(H,17,18)/b13-10+;;;
InChIKeyLBMJYBVPVZYCAD-SAOBJNJYSA-N
XLogP14.50
TPSA222.29 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001292.66
LogP ≤ 514.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 2-(1,3-dimethylindazol-6-yl)sulfanyl-N-methylbenzamide;2-(1H-indazol-6-ylsulfanyl)-N-methylbenzamide;N-methyl-2-[(3-methyl-2H-indazol-6-yl)sulfanyl]benzamide;N-methyl-2-[1-methyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylindazol-6-yl)sulfanyl-N-methylbenzamide;2-(1H-indazol-6-ylsulfanyl)-N-methylbenzamide;N-methyl-2-[(3-methyl-2H-indazol-6-yl)sulfanyl]benzamide;N-methyl-2-[1-methyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanylbenzamide?
The IUPAC name of 2-(1,3-dimethylindazol-6-yl)sulfanyl-N-methylbenzamide;2-(1H-indazol-6-ylsulfanyl)-N-methylbenzamide;N-methyl-2-[(3-methyl-2H-indazol-6-yl)sulfanyl]benzamide;N-methyl-2-[1-methyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanylbenzamide (CID 159302326) is 2-(1,3-dimethylindazol-6-yl)sulfanyl-N-methylbenzamide;2-(1H-indazol-6-ylsulfanyl)-N-methylbenzamide;N-methyl-2-[(3-methyl-2H-indazol-6-yl)sulfanyl]benzamide;N-methyl-2-[1-methyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanylbenzamide.
What is the SMILES notation for 2-(1,3-dimethylindazol-6-yl)sulfanyl-N-methylbenzamide;2-(1H-indazol-6-ylsulfanyl)-N-methylbenzamide;N-methyl-2-[(3-methyl-2H-indazol-6-yl)sulfanyl]benzamide;N-methyl-2-[1-methyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanylbenzamide?
The canonical SMILES for 2-(1,3-dimethylindazol-6-yl)sulfanyl-N-methylbenzamide;2-(1H-indazol-6-ylsulfanyl)-N-methylbenzamide;N-methyl-2-[(3-methyl-2H-indazol-6-yl)sulfanyl]benzamide;N-methyl-2-[1-methyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanylbenzamide is CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)nn(C)c2c1.CNC(=O)c1ccccc1Sc1ccc2c(C)[nH]nc2c1.CNC(=O)c1ccccc1Sc1ccc2c(C)nn(C)c2c1.CNC(=O)c1ccccc1Sc1ccc2cn[nH]c2c1.
What is the InChIKey of 2-(1,3-dimethylindazol-6-yl)sulfanyl-N-methylbenzamide;2-(1H-indazol-6-ylsulfanyl)-N-methylbenzamide;N-methyl-2-[(3-methyl-2H-indazol-6-yl)sulfanyl]benzamide;N-methyl-2-[1-methyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanylbenzamide?
The InChIKey is LBMJYBVPVZYCAD-SAOBJNJYSA-N. The full InChI is InChI=1S/C23H20N4OS.C17H17N3OS.C16H15N3OS.C15H13N3OS/c1-24-23(28)19-8-3-4-9-22(19)29-17-11-12-18-20(26-27(2)21(18)15-17)13-10-16-7-5-6-14-25-16;1-11-13-9-8-12(10-15(13)20(3)19-11)22-16-7-5-4-6-14(16)17(21)18-2;1-10-12-8-7-11(9-14(12)19-18-10)21-15-6-4-3-5-13(15)16(20)17-2;1-16-15(19)12-4-2-3-5-14(12)20-11-7-6-10-9-17-18-13(10)8-11/h3-15H,1-2H3,(H,24,28);4-10H,1-3H3,(H,18,21);3-9H,1-2H3,(H,17,20)(H,18,19);2-9H,1H3,(H,16,19)(H,17,18)/b13-10+;;;.
What are the key properties of 2-(1,3-dimethylindazol-6-yl)sulfanyl-N-methylbenzamide;2-(1H-indazol-6-ylsulfanyl)-N-methylbenzamide;N-methyl-2-[(3-methyl-2H-indazol-6-yl)sulfanyl]benzamide;N-methyl-2-[1-methyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanylbenzamide?
2-(1,3-dimethylindazol-6-yl)sulfanyl-N-methylbenzamide;2-(1H-indazol-6-ylsulfanyl)-N-methylbenzamide;N-methyl-2-[(3-methyl-2H-indazol-6-yl)sulfanyl]benzamide;N-methyl-2-[1-methyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanylbenzamide has a molecular weight of 1292.66 g/mol, XLogP of 14.50, 14 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylindazol-6-yl)sulfanyl-N-methylbenzamide;2-(1H-indazol-6-ylsulfanyl)-N-methylbenzamide;N-methyl-2-[(3-methyl-2H-indazol-6-yl)sulfanyl]benzamide;N-methyl-2-[1-methyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanylbenzamide is sourced from PubChem (CID 159302326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).