N-[4-(1-benzothiophen-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-2-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide;N-[4-(2-methyl-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide

C170H155N13O14S — CID 158045280

IUPACN-[4-(1-benzothiophen-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-2-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide;N-[4-(2-methyl-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide
SMILESCc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1cccc2[nH]ccc12.Cc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1ccccn1.Cc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1cccnc1.Cc1ncccc1CC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ccc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2sccc12)c1ccccc1
InChIInChI=1S/C26H24N2O2.2C25H22N2O2.C25H21NO2S.3C23H22N2O2/c1-18-8-5-6-11-20(18)17-25(29)24(16-19-9-3-2-4-10-19)28-26(30)22-12-7-13-23-21(22)14-15-27-23;28-23(17-21-13-7-12-19-14-15-26-24(19)21)22(16-18-8-3-1-4-9-18)27-25(29)20-10-5-2-6-11-20;28-24(17-20-12-7-13-22-21(20)14-15-26-22)23(16-18-8-3-1-4-9-18)27-25(29)19-10-5-2-6-11-19;27-23(17-20-12-7-13-24-21(20)14-15-29-24)22(16-18-8-3-1-4-9-18)26-25(28)19-10-5-2-6-11-19;1-17-20(13-8-14-24-17)16-22(26)21(15-18-9-4-2-5-10-18)25-23(27)19-11-6-3-7-12-19;1-17-9-5-6-12-19(17)16-22(26)21(15-18-10-3-2-4-11-18)25-23(27)20-13-7-8-14-24-20;1-17-8-5-6-11-19(17)15-22(26)21(14-18-9-3-2-4-10-18)25-23(27)20-12-7-13-24-16-20/h2-15,24,27H,16-17H2,1H3,(H,28,30);1-15,22,26H,16-17H2,(H,27,29);1-15,23,26H,16-17H2,(H,27,29);1-15,22H,16-17H2,(H,26,28);2*2-14,21H,15-16H2,1H3,(H,25,27);2-13,16,21H,14-15H2,1H3,(H,25,27)
InChIKeyFIVHBRYGFGGHLA-UHFFFAOYSA-N
MW2636.25 g/mol
LogP28.95
Rot. Bonds49

About N-[4-(1-benzothiophen-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-2-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide;N-[4-(2-methyl-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide

N-[4-(1-benzothiophen-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-2-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide;N-[4-(2-methyl-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide (PubChem CID 158045280) has the molecular formula C170H155N13O14S and a molecular weight of 2636.25 g/mol. Its IUPAC name is N-[4-(1-benzothiophen-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-2-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide;N-[4-(2-methyl-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(1-benzothiophen-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-2-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide;N-[4-(2-methyl-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide
PubChem CID158045280
Molecular FormulaC170H155N13O14S
Molecular Weight2636.25 g/mol
Exact Mass2634.15
IUPAC NameN-[4-(1-benzothiophen-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-2-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide;N-[4-(2-methyl-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide
SMILESCc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1cccc2[nH]ccc12.Cc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1ccccn1.Cc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1cccnc1.Cc1ncccc1CC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ccc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2sccc12)c1ccccc1
InChIInChI=1S/C26H24N2O2.2C25H22N2O2.C25H21NO2S.3C23H22N2O2/c1-18-8-5-6-11-20(18)17-25(29)24(16-19-9-3-2-4-10-19)28-26(30)22-12-7-13-23-21(22)14-15-27-23;28-23(17-21-13-7-12-19-14-15-26-24(19)21)22(16-18-8-3-1-4-9-18)27-25(29)20-10-5-2-6-11-20;28-24(17-20-12-7-13-22-21(20)14-15-26-22)23(16-18-8-3-1-4-9-18)27-25(29)19-10-5-2-6-11-19;27-23(17-20-12-7-13-24-21(20)14-15-29-24)22(16-18-8-3-1-4-9-18)26-25(28)19-10-5-2-6-11-19;1-17-20(13-8-14-24-17)16-22(26)21(15-18-9-4-2-5-10-18)25-23(27)19-11-6-3-7-12-19;1-17-9-5-6-12-19(17)16-22(26)21(15-18-10-3-2-4-11-18)25-23(27)20-13-7-8-14-24-20;1-17-8-5-6-11-19(17)15-22(26)21(14-18-9-3-2-4-10-18)25-23(27)20-12-7-13-24-16-20/h2-15,24,27H,16-17H2,1H3,(H,28,30);1-15,22,26H,16-17H2,(H,27,29);1-15,23,26H,16-17H2,(H,27,29);1-15,22H,16-17H2,(H,26,28);2*2-14,21H,15-16H2,1H3,(H,25,27);2-13,16,21H,14-15H2,1H3,(H,25,27)
InChIKeyFIVHBRYGFGGHLA-UHFFFAOYSA-N
XLogP28.95
TPSA409.23 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds49
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002636.25
LogP ≤ 528.95
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Analyze N-[4-(1-benzothiophen-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-2-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide;N-[4-(2-methyl-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzothiophen-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-2-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide;N-[4-(2-methyl-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide?
The IUPAC name of N-[4-(1-benzothiophen-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-2-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide;N-[4-(2-methyl-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide (CID 158045280) is N-[4-(1-benzothiophen-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-2-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide;N-[4-(2-methyl-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide.
What is the SMILES notation for N-[4-(1-benzothiophen-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-2-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide;N-[4-(2-methyl-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide?
The canonical SMILES for N-[4-(1-benzothiophen-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-2-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide;N-[4-(2-methyl-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide is Cc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1cccc2[nH]ccc12.Cc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1ccccn1.Cc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1cccnc1.Cc1ncccc1CC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ccc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2sccc12)c1ccccc1.
What is the InChIKey of N-[4-(1-benzothiophen-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-2-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide;N-[4-(2-methyl-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide?
The InChIKey is FIVHBRYGFGGHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2.2C25H22N2O2.C25H21NO2S.3C23H22N2O2/c1-18-8-5-6-11-20(18)17-25(29)24(16-19-9-3-2-4-10-19)28-26(30)22-12-7-13-23-21(22)14-15-27-23;28-23(17-21-13-7-12-19-14-15-26-24(19)21)22(16-18-8-3-1-4-9-18)27-25(29)20-10-5-2-6-11-20;28-24(17-20-12-7-13-22-21(20)14-15-26-22)23(16-18-8-3-1-4-9-18)27-25(29)19-10-5-2-6-11-19;27-23(17-20-12-7-13-24-21(20)14-15-29-24)22(16-18-8-3-1-4-9-18)26-25(28)19-10-5-2-6-11-19;1-17-20(13-8-14-24-17)16-22(26)21(15-18-9-4-2-5-10-18)25-23(27)19-11-6-3-7-12-19;1-17-9-5-6-12-19(17)16-22(26)21(15-18-10-3-2-4-11-18)25-23(27)20-13-7-8-14-24-20;1-17-8-5-6-11-19(17)15-22(26)21(14-18-9-3-2-4-10-18)25-23(27)20-12-7-13-24-16-20/h2-15,24,27H,16-17H2,1H3,(H,28,30);1-15,22,26H,16-17H2,(H,27,29);1-15,23,26H,16-17H2,(H,27,29);1-15,22H,16-17H2,(H,26,28);2*2-14,21H,15-16H2,1H3,(H,25,27);2-13,16,21H,14-15H2,1H3,(H,25,27).
What are the key properties of N-[4-(1-benzothiophen-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-2-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide;N-[4-(2-methyl-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide?
N-[4-(1-benzothiophen-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-2-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide;N-[4-(2-methyl-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide has a molecular weight of 2636.25 g/mol, XLogP of 28.95, 49 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzothiophen-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-2-carboxamide;N-[4-(2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]pyridine-3-carboxamide;N-[4-(2-methyl-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 158045280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).