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

C104H88BrClN12O7S3 — CID 158173835

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;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
SMILESCc1ccc(Cn2cc(NC(=O)c3ccoc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3ccsn3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cnco3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cscc3Br)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3Cl)c3ccccc32)cc1
InChIInChI=1S/C22H20N2O2.C21H17BrN2OS.C21H17ClN2OS.C20H17N3O2.C20H17N3OS/c1-15-7-9-17(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;1-14-6-8-15(9-7-14)11-23-12-17(16-4-2-3-5-18(16)23)22-20(24)19-10-21-13-25-19;1-14-6-8-15(9-7-14)12-23-13-18(16-4-2-3-5-19(16)23)21-20(24)17-10-11-25-22-17/h3-12,14H,13H2,1-2H3,(H,23,25);2-9,11-13H,10H2,1H3,(H,23,25);2-11,13H,12H2,1H3,(H,23,25);2-10,12-13H,11H2,1H3,(H,22,24);2-11,13H,12H2,1H3,(H,21,24)
InChIKeyFXTQCDSTWZQOKU-UHFFFAOYSA-N
MW1829.48 g/mol
LogP26.14
Rot. Bonds20

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;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

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 (PubChem CID 158173835) has the molecular formula C104H88BrClN12O7S3 and a molecular weight of 1829.48 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;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.

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;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
PubChem CID158173835
Molecular FormulaC104H88BrClN12O7S3
Molecular Weight1829.48 g/mol
Exact Mass1826.49
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;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
SMILESCc1ccc(Cn2cc(NC(=O)c3ccoc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3ccsn3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cnco3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cscc3Br)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3Cl)c3ccccc32)cc1
InChIInChI=1S/C22H20N2O2.C21H17BrN2OS.C21H17ClN2OS.C20H17N3O2.C20H17N3OS/c1-15-7-9-17(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;1-14-6-8-15(9-7-14)11-23-12-17(16-4-2-3-5-18(16)23)22-20(24)19-10-21-13-25-19;1-14-6-8-15(9-7-14)12-23-13-18(16-4-2-3-5-19(16)23)21-20(24)17-10-11-25-22-17/h3-12,14H,13H2,1-2H3,(H,23,25);2-9,11-13H,10H2,1H3,(H,23,25);2-11,13H,12H2,1H3,(H,23,25);2-10,12-13H,11H2,1H3,(H,22,24);2-11,13H,12H2,1H3,(H,21,24)
InChIKeyFXTQCDSTWZQOKU-UHFFFAOYSA-N
XLogP26.14
TPSA222.21 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001829.48
LogP ≤ 526.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

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;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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
CID 118463369
N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
CID 118463358
2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide
CID 158001466
N-[1-[(4-chlorophenyl)methyl]-5-[6-[[[1-[(4-chlorophenyl)methyl]indol-3-yl]amino]-hydroxymethyl]pyridazin-4-yl]indol-3-yl]-2-methylfuran-3-carboxamide
CID 166823052
N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118335603
4,5-dimethyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1-benzofuran-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-2-carboxamide
CID 159003069
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine
CID 159404761
N-[1-[(4-fluorophenyl)methyl]-5-[4-[[1-[(4-methylphenyl)methyl]indol-3-yl]carbamoyl]furan-2-yl]indol-3-yl]pyridazine-3-carboxamide
CID 166823047
2-[[1-[(4-bromophenyl)methyl]indole-3-carbonyl]amino]benzoic acid
CID 172864246
N-[1-[(4-cyanophenyl)methyl]indol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 118335610
N-(1-benzylindol-3-yl)furan-3-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;N-[1-[(2-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide
CID 159237298
1-benzyl-N-(2-imidazol-1-ylphenyl)indole-3-carboxamide
CID 55912029

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;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?
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;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) 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;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.
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;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?
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;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 is Cc1ccc(Cn2cc(NC(=O)c3ccoc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3ccsn3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cnco3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cscc3Br)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3Cl)c3ccccc32)cc1.
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;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?
The InChIKey is FXTQCDSTWZQOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2.C21H17BrN2OS.C21H17ClN2OS.C20H17N3O2.C20H17N3OS/c1-15-7-9-17(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;1-14-6-8-15(9-7-14)11-23-12-17(16-4-2-3-5-18(16)23)22-20(24)19-10-21-13-25-19;1-14-6-8-15(9-7-14)12-23-13-18(16-4-2-3-5-19(16)23)21-20(24)17-10-11-25-22-17/h3-12,14H,13H2,1-2H3,(H,23,25);2-9,11-13H,10H2,1H3,(H,23,25);2-11,13H,12H2,1H3,(H,23,25);2-10,12-13H,11H2,1H3,(H,22,24);2-11,13H,12H2,1H3,(H,21,24).
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;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?
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 has a molecular weight of 1829.48 g/mol, XLogP of 26.14, 20 rotatable bonds, 5 hydrogen bond donors, and 17 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;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 is sourced from PubChem (CID 158173835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).