2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide

C89H79N11O6S — CID 161104782

IUPAC2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide
SMILESCOc1ccccc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.COc1cscc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.Cc1ccc(Cn2cc(NC(=O)c3cccnc3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cnccn3)c3ccccc32)cc1
InChIInChI=1S/C24H22N2O2.C22H19N3O.C22H20N2O2S.C21H18N4O/c1-17-11-13-18(14-12-17)15-26-16-21(19-7-3-5-9-22(19)26)25-24(27)20-8-4-6-10-23(20)28-2;1-16-8-10-17(11-9-16)14-25-15-20(19-6-2-3-7-21(19)25)24-22(26)18-5-4-12-23-13-18;1-15-7-9-16(10-8-15)11-24-12-19(17-5-3-4-6-20(17)24)23-22(25)18-13-27-14-21(18)26-2;1-15-6-8-16(9-7-15)13-25-14-19(17-4-2-3-5-20(17)25)24-21(26)18-12-22-10-11-23-18/h3-14,16H,15H2,1-2H3,(H,25,27);2-13,15H,14H2,1H3,(H,24,26);3-10,12-14H,11H2,1-2H3,(H,23,25);2-12,14H,13H2,1H3,(H,24,26)
InChIKeyUIXCRDHZKWIYKG-UHFFFAOYSA-N
MW1430.75 g/mol
LogP19.26
Rot. Bonds18

About 2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide

2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide (PubChem CID 161104782) has the molecular formula C89H79N11O6S and a molecular weight of 1430.75 g/mol. Its IUPAC name is 2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide
PubChem CID161104782
Molecular FormulaC89H79N11O6S
Molecular Weight1430.75 g/mol
Exact Mass1429.59
IUPAC Name2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide
SMILESCOc1ccccc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.COc1cscc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.Cc1ccc(Cn2cc(NC(=O)c3cccnc3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cnccn3)c3ccccc32)cc1
InChIInChI=1S/C24H22N2O2.C22H19N3O.C22H20N2O2S.C21H18N4O/c1-17-11-13-18(14-12-17)15-26-16-21(19-7-3-5-9-22(19)26)25-24(27)20-8-4-6-10-23(20)28-2;1-16-8-10-17(11-9-16)14-25-15-20(19-6-2-3-7-21(19)25)24-22(26)18-5-4-12-23-13-18;1-15-7-9-16(10-8-15)11-24-12-19(17-5-3-4-6-20(17)24)23-22(25)18-13-27-14-21(18)26-2;1-15-6-8-16(9-7-15)13-25-14-19(17-4-2-3-5-20(17)25)24-21(26)18-12-22-10-11-23-18/h3-14,16H,15H2,1-2H3,(H,25,27);2-13,15H,14H2,1H3,(H,24,26);3-10,12-14H,11H2,1-2H3,(H,23,25);2-12,14H,13H2,1H3,(H,24,26)
InChIKeyUIXCRDHZKWIYKG-UHFFFAOYSA-N
XLogP19.26
TPSA193.25 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001430.75
LogP ≤ 519.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-2-(trifluoromethoxy)benzamide
CID 163717644
2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide
CID 158425809
2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide
CID 158624801
bis(2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide);4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide
CID 160002096
2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide
CID 161711482

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide (CID 161104782) is 2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide is COc1ccccc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.COc1cscc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.Cc1ccc(Cn2cc(NC(=O)c3cccnc3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cnccn3)c3ccccc32)cc1.
What is the InChIKey of 2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide?
The InChIKey is UIXCRDHZKWIYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2.C22H19N3O.C22H20N2O2S.C21H18N4O/c1-17-11-13-18(14-12-17)15-26-16-21(19-7-3-5-9-22(19)26)25-24(27)20-8-4-6-10-23(20)28-2;1-16-8-10-17(11-9-16)14-25-15-20(19-6-2-3-7-21(19)25)24-22(26)18-5-4-12-23-13-18;1-15-7-9-16(10-8-15)11-24-12-19(17-5-3-4-6-20(17)24)23-22(25)18-13-27-14-21(18)26-2;1-15-6-8-16(9-7-15)13-25-14-19(17-4-2-3-5-20(17)25)24-21(26)18-12-22-10-11-23-18/h3-14,16H,15H2,1-2H3,(H,25,27);2-13,15H,14H2,1H3,(H,24,26);3-10,12-14H,11H2,1-2H3,(H,23,25);2-12,14H,13H2,1H3,(H,24,26).
What are the key properties of 2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide?
2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide has a molecular weight of 1430.75 g/mol, XLogP of 19.26, 18 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;4-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 161104782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).