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;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide

C83H70ClFN10O5S3 — CID 159045921

IUPAC2-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;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3ccsc3Cl)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cncs3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3conc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3F)c3ccccc32)cc1
InChIInChI=1S/C21H17ClN2OS.C21H17FN2OS.C21H19N3O2.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;1-14-6-8-15(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);2-10,12-13H,11H2,1H3,(H,22,24)
InChIKeyJWQNXQMUNPOUAG-UHFFFAOYSA-N
MW1438.19 g/mol
LogP20.67
Rot. Bonds16

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;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;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 159045921) has the molecular formula C83H70ClFN10O5S3 and a molecular weight of 1438.19 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;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-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;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID159045921
Molecular FormulaC83H70ClFN10O5S3
Molecular Weight1438.19 g/mol
Exact Mass1436.44
IUPAC Name2-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;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Cn2cc(NC(=O)c3ccsc3Cl)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cncs3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3conc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3F)c3ccccc32)cc1
InChIInChI=1S/C21H17ClN2OS.C21H17FN2OS.C21H19N3O2.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;1-14-6-8-15(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);2-10,12-13H,11H2,1H3,(H,22,24)
InChIKeyJWQNXQMUNPOUAG-UHFFFAOYSA-N
XLogP20.67
TPSA175.04 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001438.19
LogP ≤ 520.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 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;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-c]pyridin-3-yl]thiophene-2-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide
CID 161209347
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;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-thiazole-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide
CID 158134995
6-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-2-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide
CID 158571936
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

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;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;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide (CID 159045921) 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;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;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;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)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;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is JWQNXQMUNPOUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2OS.C21H17FN2OS.C21H19N3O2.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;1-14-6-8-15(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);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;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;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 1438.19 g/mol, XLogP of 20.67, 16 rotatable bonds, 4 hydrogen bond donors, and 14 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;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 159045921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).