2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide

C104H89ClFN13O7S3 — CID 161257606

About 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide

2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 161257606) has the molecular formula C104H89ClFN13O7S3 and a molecular weight of 1783.59 g/mol. Its IUPAC name is 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide
• PubChem CID: 161257606
• Molecular Formula: C104H89ClFN13O7S3
• Molecular Weight: 1783.59 g/mol
• Exact Mass: 1781.58
• IUPAC Name: 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1ccc(Cn2cc(NC(=O)c3ccsc3Cl)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cncs3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3conc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3ocnc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3F)c3ccccc32)cc1
• InChI: InChI=1S/C21H17ClN2OS.C21H17FN2OS.2C21H19N3O2.C20H17N3OS/c1-14-6-8-15(9-7-14)12-24-13-18(16-4-2-3-5-19(16)24)23-21(25)17-10-11-26-20(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)11-24-12-19(17-5-3-4-6-20(17)24)22-21(25)18-13-26-23-15(18)2;1-14-7-9-16(10-8-14)11-24-12-18(17-5-3-4-6-19(17)24)23-21(25)20-15(2)22-13-26-20;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/h2*2-11,13H,12H2,1H3,(H,23,25);3-10,12-13H,11H2,1-2H3,(H,22,25);3-10,12-13H,11H2,1-2H3,(H,23,25);2-10,12-13H,11H2,1H3,(H,22,24)
• InChIKey: VCDBHRJFNIGDPR-UHFFFAOYSA-N
• XLogP: 25.22
• TPSA: 235.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1783.59
LogP ≤ 5	25.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide (CID 161257606) is 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide is Cc1ccc(Cn2cc(NC(=O)c3ccsc3Cl)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cncs3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3conc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3ocnc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3F)c3ccccc32)cc1.

What is the InChIKey of 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide?

The InChIKey is VCDBHRJFNIGDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2OS.C21H17FN2OS.2C21H19N3O2.C20H17N3OS/c1-14-6-8-15(9-7-14)12-24-13-18(16-4-2-3-5-19(16)24)23-21(25)17-10-11-26-20(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)11-24-12-19(17-5-3-4-6-20(17)24)22-21(25)18-13-26-23-15(18)2;1-14-7-9-16(10-8-14)11-24-12-18(17-5-3-4-6-19(17)24)23-21(25)20-15(2)22-13-26-20;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/h2*2-11,13H,12H2,1H3,(H,23,25);3-10,12-13H,11H2,1-2H3,(H,22,25);3-10,12-13H,11H2,1-2H3,(H,23,25);2-10,12-13H,11H2,1H3,(H,22,24).

What are the key properties of 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide?

2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 1783.59 g/mol, XLogP of 25.22, 20 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-3-carboxamide;3-fluoro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 161257606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).