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

C67H60N8O5S — CID 158624801

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]pyridazine-3-carboxamide
SMILESCOc1ccccc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.COc1cscc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.Cc1ccc(Cn2cc(NC(=O)c3cccnn3)c3ccccc32)cc1
InChIInChI=1S/C24H22N2O2.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;1-15-7-9-16(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;1-15-8-10-16(11-9-15)13-25-14-19(17-5-2-3-7-20(17)25)23-21(26)18-6-4-12-22-24-18/h3-14,16H,15H2,1-2H3,(H,25,27);3-10,12-14H,11H2,1-2H3,(H,23,25);2-12,14H,13H2,1H3,(H,23,26)
InChIKeyHYLLKKDFPBBGPR-UHFFFAOYSA-N
MW1089.34 g/mol
LogP14.62
Rot. Bonds14

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]pyridazine-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]pyridazine-3-carboxamide (PubChem CID 158624801) has the molecular formula C67H60N8O5S and a molecular weight of 1089.34 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]pyridazine-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]pyridazine-3-carboxamide
PubChem CID158624801
Molecular FormulaC67H60N8O5S
Molecular Weight1089.34 g/mol
Exact Mass1088.44
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]pyridazine-3-carboxamide
SMILESCOc1ccccc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.COc1cscc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.Cc1ccc(Cn2cc(NC(=O)c3cccnn3)c3ccccc32)cc1
InChIInChI=1S/C24H22N2O2.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;1-15-7-9-16(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;1-15-8-10-16(11-9-15)13-25-14-19(17-5-2-3-7-20(17)25)23-21(26)18-6-4-12-22-24-18/h3-14,16H,15H2,1-2H3,(H,25,27);3-10,12-14H,11H2,1-2H3,(H,23,25);2-12,14H,13H2,1H3,(H,23,26)
InChIKeyHYLLKKDFPBBGPR-UHFFFAOYSA-N
XLogP14.62
TPSA146.33 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001089.34
LogP ≤ 514.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Related Compounds

N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
CID 161177423
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
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-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridazine-3-carboxamide
CID 160156114
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
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
1-[(E)-3-[3-[3-methyl-4-[[1-[2-[2-[2-[2-[2-[(9-prop-2-enoyl-7-thiophen-2-ylcarbazol-3-yl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]phenyl]-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide
CID 171638983
N-(2-(4-methoxy-1H-indol-1-yl)ethyl)-1-methyl-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide
CID 60180669

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]pyridazine-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]pyridazine-3-carboxamide (CID 158624801) 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]pyridazine-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]pyridazine-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]pyridazine-3-carboxamide is COc1ccccc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.COc1cscc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.Cc1ccc(Cn2cc(NC(=O)c3cccnn3)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]pyridazine-3-carboxamide?
The InChIKey is HYLLKKDFPBBGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2.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;1-15-7-9-16(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;1-15-8-10-16(11-9-15)13-25-14-19(17-5-2-3-7-20(17)25)23-21(26)18-6-4-12-22-24-18/h3-14,16H,15H2,1-2H3,(H,25,27);3-10,12-14H,11H2,1-2H3,(H,23,25);2-12,14H,13H2,1H3,(H,23,26).
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]pyridazine-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]pyridazine-3-carboxamide has a molecular weight of 1089.34 g/mol, XLogP of 14.62, 14 rotatable bonds, 3 hydrogen bond donors, and 11 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]pyridazine-3-carboxamide is sourced from PubChem (CID 158624801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).