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

C67H57F3N8O5S — CID 163717644

IUPAC4-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
SMILESCOc1cscc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.Cc1ccc(Cn2cc(NC(=O)c3ccccc3OC(F)(F)F)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cccnn3)c3ccccc32)cc1
InChIInChI=1S/C24H19F3N2O2.C22H20N2O2S.C21H18N4O/c1-16-10-12-17(13-11-16)14-29-15-20(18-6-2-4-8-21(18)29)28-23(30)19-7-3-5-9-22(19)31-24(25,26)27;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/h2-13,15H,14H2,1H3,(H,28,30);3-10,12-14H,11H2,1-2H3,(H,23,25);2-12,14H,13H2,1H3,(H,23,26)
InChIKeyKOTGGIFCHFKAMH-UHFFFAOYSA-N
MW1143.31 g/mol
LogP15.51
Rot. Bonds14

About 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

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 (PubChem CID 163717644) has the molecular formula C67H57F3N8O5S and a molecular weight of 1143.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID163717644
Molecular FormulaC67H57F3N8O5S
Molecular Weight1143.31 g/mol
Exact Mass1142.41
IUPAC Name4-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
SMILESCOc1cscc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.Cc1ccc(Cn2cc(NC(=O)c3ccccc3OC(F)(F)F)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cccnn3)c3ccccc32)cc1
InChIInChI=1S/C24H19F3N2O2.C22H20N2O2S.C21H18N4O/c1-16-10-12-17(13-11-16)14-29-15-20(18-6-2-4-8-21(18)29)28-23(30)19-7-3-5-9-22(19)31-24(25,26)27;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/h2-13,15H,14H2,1H3,(H,28,30);3-10,12-14H,11H2,1-2H3,(H,23,25);2-12,14H,13H2,1H3,(H,23,26)
InChIKeyKOTGGIFCHFKAMH-UHFFFAOYSA-N
XLogP15.51
TPSA146.33 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001143.31
LogP ≤ 515.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Related Compounds

N-(1,3-diphenylpyrazol-5-yl)benzamide;N-(1,3-diphenylpyrazol-5-yl)-4-fluorobenzamide;N-(1,3-diphenylpyrazol-5-yl)-2-methoxybenzamide;N-(1,3-diphenylpyrazol-5-yl)pyridine-2-carboxamide;N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 158105872
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
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-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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cscc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.Cc1ccc(Cn2cc(NC(=O)c3ccccc3OC(F)(F)F)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cccnn3)c3ccccc32)cc1.
What is the InChIKey of 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?
The InChIKey is KOTGGIFCHFKAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O2.C22H20N2O2S.C21H18N4O/c1-16-10-12-17(13-11-16)14-29-15-20(18-6-2-4-8-21(18)29)28-23(30)19-7-3-5-9-22(19)31-24(25,26)27;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/h2-13,15H,14H2,1H3,(H,28,30);3-10,12-14H,11H2,1-2H3,(H,23,25);2-12,14H,13H2,1H3,(H,23,26).
What are the key properties of 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?
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 has a molecular weight of 1143.31 g/mol, XLogP of 15.51, 14 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163717644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).