N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide

C170H151Cl2F2N11O17S3 — CID 158925120

About N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide

N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide (PubChem CID 158925120) has the molecular formula C170H151Cl2F2N11O17S3 and a molecular weight of 2825.24 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide
• PubChem CID: 158925120
• Molecular Formula: C170H151Cl2F2N11O17S3
• Molecular Weight: 2825.24 g/mol
• Exact Mass: 2821.98
• IUPAC Name: N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide
• SMILES: Cc1ccc(Cl)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccs1.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ccc12)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1CCCC2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12)c1ccccc1Cl.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12)c1ccccc1F
• InChI: InChI=1S/C26H24N2O2.C25H21ClN2O2.2C25H21FN2O2.C25H25NO2S.C22H20ClNO3S.C22H19NO4S/c1-18-8-5-6-13-22(18)26(30)28-23(16-19-9-3-2-4-10-19)24(29)17-21-12-7-11-20-14-15-27-25(20)21;2*26-21-12-5-4-11-20(21)25(30)28-22(15-17-7-2-1-3-8-17)23(29)16-19-10-6-9-18-13-14-27-24(18)19;26-21-11-5-4-10-20(21)25(30)28-23(15-17-7-2-1-3-8-17)24(29)16-18-9-6-12-22-19(18)13-14-27-22;27-23(17-20-12-6-11-19-10-4-5-13-21(19)20)22(16-18-8-2-1-3-9-18)26-25(28)24-14-7-15-29-24;1-14-4-7-17(23)12-16(14)13-20(26)19(11-15-5-8-18(25)9-6-15)24-22(27)21-3-2-10-28-21;24-18(13-16-8-4-9-19-21(16)27-14-26-19)17(12-15-6-2-1-3-7-15)23-22(25)20-10-5-11-28-20/h2-15,23,27H,16-17H2,1H3,(H,28,30);2*1-14,22,27H,15-16H2,(H,28,30);1-14,23,27H,15-16H2,(H,28,30);1-3,6-9,11-12,14-15,22H,4-5,10,13,16-17H2,(H,26,28);2-10,12,19,25H,11,13H2,1H3,(H,24,27);1-11,17H,12-14H2,(H,23,25)
• InChIKey: JIINDGPVAMIMDU-UHFFFAOYSA-N
• XLogP: 31.50
• TPSA: 425.04 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 49
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2825.24
LogP ≤ 5	31.50
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide (CID 158925120) is N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide is Cc1ccc(Cl)cc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccs1.Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ccc12)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1CCCC2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCO2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12)c1ccccc1Cl.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cc[nH]c12)c1ccccc1F.

What is the InChIKey of N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide?

The InChIKey is JIINDGPVAMIMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2.C25H21ClN2O2.2C25H21FN2O2.C25H25NO2S.C22H20ClNO3S.C22H19NO4S/c1-18-8-5-6-13-22(18)26(30)28-23(16-19-9-3-2-4-10-19)24(29)17-21-12-7-11-20-14-15-27-25(20)21;2*26-21-12-5-4-11-20(21)25(30)28-22(15-17-7-2-1-3-8-17)23(29)16-19-10-6-9-18-13-14-27-24(18)19;26-21-11-5-4-10-20(21)25(30)28-23(15-17-7-2-1-3-8-17)24(29)16-18-9-6-12-22-19(18)13-14-27-22;27-23(17-20-12-6-11-19-10-4-5-13-21(19)20)22(16-18-8-2-1-3-9-18)26-25(28)24-14-7-15-29-24;1-14-4-7-17(23)12-16(14)13-20(26)19(11-15-5-8-18(25)9-6-15)24-22(27)21-3-2-10-28-21;24-18(13-16-8-4-9-19-21(16)27-14-26-19)17(12-15-6-2-1-3-7-15)23-22(25)20-10-5-11-28-20/h2-15,23,27H,16-17H2,1H3,(H,28,30);2*1-14,22,27H,15-16H2,(H,28,30);1-14,23,27H,15-16H2,(H,28,30);1-3,6-9,11-12,14-15,22H,4-5,10,13,16-17H2,(H,26,28);2-10,12,19,25H,11,13H2,1H3,(H,24,27);1-11,17H,12-14H2,(H,23,25).

What are the key properties of N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide?

N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide has a molecular weight of 2825.24 g/mol, XLogP of 31.50, 49 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;2-chloro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(5-chloro-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;2-fluoro-N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;2-fluoro-N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 158925120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).