N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methoxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)thiophene-2-carboxamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide

C138H129N7O18S6 — CID 159515482

About N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methoxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)thiophene-2-carboxamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide

N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methoxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)thiophene-2-carboxamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide (PubChem CID 159515482) has the molecular formula C138H129N7O18S6 and a molecular weight of 2365.98 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methoxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)thiophene-2-carboxamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;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-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methoxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)thiophene-2-carboxamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide
• PubChem CID: 159515482
• Molecular Formula: C138H129N7O18S6
• Molecular Weight: 2365.98 g/mol
• Exact Mass: 2363.77
• IUPAC Name: N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methoxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)thiophene-2-carboxamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide
• SMILES: COc1ccccc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccs1.COc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1cccs1.Cc1ccccc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1CCCC2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCCO2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cnccc12)c1cccs1
• InChI: InChI=1S/C25H25NO2S.C24H20N2O2S.C23H21NO4S.C22H21NO4S.2C22H21NO3S/c27-23(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;27-22(15-18-8-4-9-19-16-25-12-11-20(18)19)21(14-17-6-2-1-3-7-17)26-24(28)23-10-5-13-29-23;25-19(15-17-8-4-9-20-22(17)28-12-11-27-20)18(14-16-6-2-1-3-7-16)24-23(26)21-10-5-13-29-21;1-27-20-6-3-2-5-16(20)14-19(25)18(13-15-8-10-17(24)11-9-15)23-22(26)21-7-4-12-28-21;1-15-5-2-3-6-17(15)14-20(25)19(13-16-8-10-18(24)11-9-16)23-22(26)21-7-4-12-27-21;1-26-20-11-6-5-10-17(20)15-19(24)18(14-16-8-3-2-4-9-16)23-22(25)21-12-7-13-27-21/h1-3,6-9,11-12,14-15,22H,4-5,10,13,16-17H2,(H,26,28);1-13,16,21H,14-15H2,(H,26,28);1-10,13,18H,11-12,14-15H2,(H,24,26);2-12,18,24H,13-14H2,1H3,(H,23,26);2-12,19,24H,13-14H2,1H3,(H,23,26);2-13,18H,14-15H2,1H3,(H,23,25)
• InChIKey: MBDGTMXKLNESNY-UHFFFAOYSA-N
• XLogP: 24.34
• TPSA: 367.29 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 44
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2365.98
LogP ≤ 5	24.34
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methoxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)thiophene-2-carboxamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;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-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methoxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)thiophene-2-carboxamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide (CID 159515482) is N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methoxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)thiophene-2-carboxamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;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-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methoxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)thiophene-2-carboxamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;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-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methoxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)thiophene-2-carboxamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide is COc1ccccc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccs1.COc1ccccc1CC(=O)C(Cc1ccccc1)NC(=O)c1cccs1.Cc1ccccc1CC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1CCCC2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCCO2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cnccc12)c1cccs1.

What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methoxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)thiophene-2-carboxamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide?

The InChIKey is MBDGTMXKLNESNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2S.C24H20N2O2S.C23H21NO4S.C22H21NO4S.2C22H21NO3S/c27-23(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;27-22(15-18-8-4-9-19-16-25-12-11-20(18)19)21(14-17-6-2-1-3-7-17)26-24(28)23-10-5-13-29-23;25-19(15-17-8-4-9-20-22(17)28-12-11-27-20)18(14-16-6-2-1-3-7-16)24-23(26)21-10-5-13-29-21;1-27-20-6-3-2-5-16(20)14-19(25)18(13-15-8-10-17(24)11-9-15)23-22(26)21-7-4-12-28-21;1-15-5-2-3-6-17(15)14-20(25)19(13-16-8-10-18(24)11-9-16)23-22(26)21-7-4-12-27-21;1-26-20-11-6-5-10-17(20)15-19(24)18(14-16-8-3-2-4-9-16)23-22(25)21-12-7-13-27-21/h1-3,6-9,11-12,14-15,22H,4-5,10,13,16-17H2,(H,26,28);1-13,16,21H,14-15H2,(H,26,28);1-10,13,18H,11-12,14-15H2,(H,24,26);2-12,18,24H,13-14H2,1H3,(H,23,26);2-12,19,24H,13-14H2,1H3,(H,23,26);2-13,18H,14-15H2,1H3,(H,23,25).

What are the key properties of N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methoxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)thiophene-2-carboxamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide?

N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methoxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)thiophene-2-carboxamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide has a molecular weight of 2365.98 g/mol, XLogP of 24.34, 44 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methoxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)thiophene-2-carboxamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 159515482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).