4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide

C110H94BrClN12O6S2 — CID 162026457

IUPAC4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3ccoc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cn[nH]c3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cscc3Br)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3Cl)c3ccccc32)cc1.[C-]#[N+]c1ccccc1C(=O)Cc1cn(Cc2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C25H20N2O.C22H20N2O2.C21H17BrN2OS.C21H17ClN2OS.C21H20N4O/c1-18-11-13-19(14-12-18)16-27-17-20(21-7-4-6-10-24(21)27)15-25(28)22-8-3-5-9-23(22)26-2;1-15-7-9-17(10-8-15)13-24-14-20(19-5-3-4-6-21(19)24)23-22(25)18-11-12-26-16(18)2;1-14-6-8-15(9-7-14)10-24-11-19(16-4-2-3-5-20(16)24)23-21(25)17-12-26-13-18(17)22;1-14-6-8-15(9-7-14)12-24-13-18(16-4-2-3-5-19(16)24)23-21(25)20-17(22)10-11-26-20;1-14-7-9-16(10-8-14)12-25-13-19(17-5-3-4-6-20(17)25)23-21(26)18-11-22-24-15(18)2/h3-14,17H,15-16H2,1H3;3-12,14H,13H2,1-2H3,(H,23,25);2-9,11-13H,10H2,1H3,(H,23,25);2-11,13H,12H2,1H3,(H,23,25);3-11,13H,12H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyYVLACZSKAIWWLW-UHFFFAOYSA-N
MW1859.53 g/mol
LogP27.45
Rot. Bonds21

About 4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide

4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 162026457) has the molecular formula C110H94BrClN12O6S2 and a molecular weight of 1859.53 g/mol. Its IUPAC name is 4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID162026457
Molecular FormulaC110H94BrClN12O6S2
Molecular Weight1859.53 g/mol
Exact Mass1856.57
IUPAC Name4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3ccoc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cn[nH]c3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cscc3Br)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3Cl)c3ccccc32)cc1.[C-]#[N+]c1ccccc1C(=O)Cc1cn(Cc2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C25H20N2O.C22H20N2O2.C21H17BrN2OS.C21H17ClN2OS.C21H20N4O/c1-18-11-13-19(14-12-18)16-27-17-20(21-7-4-6-10-24(21)27)15-25(28)22-8-3-5-9-23(22)26-2;1-15-7-9-17(10-8-15)13-24-14-20(19-5-3-4-6-21(19)24)23-22(25)18-11-12-26-16(18)2;1-14-6-8-15(9-7-14)10-24-11-19(16-4-2-3-5-20(16)24)23-21(25)17-12-26-13-18(17)22;1-14-6-8-15(9-7-14)12-24-13-18(16-4-2-3-5-19(16)24)23-21(25)20-17(22)10-11-26-20;1-14-7-9-16(10-8-14)12-25-13-19(17-5-3-4-6-20(17)25)23-21(26)18-11-22-24-15(18)2/h3-14,17H,15-16H2,1H3;3-12,14H,13H2,1-2H3,(H,23,25);2-9,11-13H,10H2,1H3,(H,23,25);2-11,13H,12H2,1H3,(H,23,25);3-11,13H,12H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyYVLACZSKAIWWLW-UHFFFAOYSA-N
XLogP27.45
TPSA204.30 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001859.53
LogP ≤ 527.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide
CID 159746002
N-[amino-[2-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]methylidene]-4-bromothiophene-3-carboxamide;2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide;2-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]acetyl]benzonitrile
CID 164091758
4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-thiazole-3-carboxamide
CID 158173835
4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide
CID 158901185
4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide
CID 159871001
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-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-isocyano-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide
CID 161001950
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
2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-isocyano-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide
CID 162100626

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide (CID 162026457) is 4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide is Cc1ccc(Cn2cc(NC(=O)c3ccoc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cn[nH]c3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cscc3Br)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3Cl)c3ccccc32)cc1.[C-]#[N+]c1ccccc1C(=O)Cc1cn(Cc2ccc(C)cc2)c2ccccc12.
What is the InChIKey of 4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is YVLACZSKAIWWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O.C22H20N2O2.C21H17BrN2OS.C21H17ClN2OS.C21H20N4O/c1-18-11-13-19(14-12-18)16-27-17-20(21-7-4-6-10-24(21)27)15-25(28)22-8-3-5-9-23(22)26-2;1-15-7-9-17(10-8-15)13-24-14-20(19-5-3-4-6-21(19)24)23-22(25)18-11-12-26-16(18)2;1-14-6-8-15(9-7-14)10-24-11-19(16-4-2-3-5-20(16)24)23-21(25)17-12-26-13-18(17)22;1-14-6-8-15(9-7-14)12-24-13-18(16-4-2-3-5-19(16)24)23-21(25)20-17(22)10-11-26-20;1-14-7-9-16(10-8-14)12-25-13-19(17-5-3-4-6-20(17)25)23-21(26)18-11-22-24-15(18)2/h3-14,17H,15-16H2,1H3;3-12,14H,13H2,1-2H3,(H,23,25);2-9,11-13H,10H2,1H3,(H,23,25);2-11,13H,12H2,1H3,(H,23,25);3-11,13H,12H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of 4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide?
4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 1859.53 g/mol, XLogP of 27.45, 21 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;2-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 162026457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).