N-(2-acetamidoethyl)-4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[1-[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]ethyl]phenyl]-N,N-dimethylbenzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(diethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[4-(methanesulfonamidomethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

C167H173F4N13O27S2 — CID 157330778

About N-(2-acetamidoethyl)-4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[1-[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]ethyl]phenyl]-N,N-dimethylbenzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(diethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[4-(methanesulfonamidomethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

N-(2-acetamidoethyl)-4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[1-[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]ethyl]phenyl]-N,N-dimethylbenzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(diethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[4-(methanesulfonamidomethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 157330778) has the molecular formula C167H173F4N13O27S2 and a molecular weight of 2934.41 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[1-[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]ethyl]phenyl]-N,N-dimethylbenzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(diethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[4-(methanesulfonamidomethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-(2-acetamidoethyl)-4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[1-[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]ethyl]phenyl]-N,N-dimethylbenzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(diethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[4-(methanesulfonamidomethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 157330778
• Molecular Formula: C167H173F4N13O27S2
• Molecular Weight: 2934.41 g/mol
• Exact Mass: 2932.19
• IUPAC Name: N-(2-acetamidoethyl)-4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[1-[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]ethyl]phenyl]-N,N-dimethylbenzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(diethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[4-(methanesulfonamidomethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CC(=O)NCCNC(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.CC(N[C@@H](CO)C(C)(C)C)c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(=O)N(C)C)cc1.CCN(CC)S(=O)(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.CNC(=O)c1ccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2C(F)(F)F)cc1.Cc1cc(F)c(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CNS(C)(=O)=O)cc1.Cc1ccccc1-c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C34H41N3O5.C29H29N3O5.C28H30N2O5S.C26H21F3N2O4.C26H25FN2O5S.C24H21NO3.3H2/c1-21(35-30(19-38)33(2,3)4)26-13-12-25(18-27(26)22-7-9-23(10-8-22)31(39)37(5)6)36-32(40)34(15-16-34)24-11-14-28-29(17-24)42-20-41-28;1-18-3-9-23(32-28(35)29(11-12-29)22-8-10-25-26(15-22)37-17-36-25)16-24(18)20-4-6-21(7-5-20)27(34)31-14-13-30-19(2)33;1-4-30(5-2)36(32,33)23-11-7-20(8-12-23)24-17-22(10-6-19(24)3)29-27(31)28(14-15-28)21-9-13-25-26(16-21)35-18-34-25;1-30-23(32)16-4-2-15(3-5-16)19-8-7-18(13-20(19)26(27,28)29)31-24(33)25(10-11-25)17-6-9-21-22(12-17)35-14-34-21;1-16-11-21(27)22(13-20(16)18-5-3-17(4-6-18)14-28-35(2,31)32)29-25(30)26(9-10-26)19-7-8-23-24(12-19)34-15-33-23;1-16-4-2-3-5-20(16)17-6-9-19(10-7-17)25-23(26)24(12-13-24)18-8-11-21-22(14-18)28-15-27-21;;;/h7-14,17-18,21,30,35,38H,15-16,19-20H2,1-6H3,(H,36,40);3-10,15-16H,11-14,17H2,1-2H3,(H,30,33)(H,31,34)(H,32,35);6-13,16-17H,4-5,14-15,18H2,1-3H3,(H,29,31);2-9,12-13H,10-11,14H2,1H3,(H,30,32)(H,31,33);3-8,11-13,28H,9-10,14-15H2,1-2H3,(H,29,30);2-11,14H,12-13,15H2,1H3,(H,25,26);3*1H/t21?,30-;;;;;;;;/m0......../s1
• InChIKey: BFGLQCDKODKCDK-XFUPHQJRSA-N
• XLogP: 29.71
• TPSA: 508.78 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 41
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2934.41
LogP ≤ 5	29.71
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[1-[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]ethyl]phenyl]-N,N-dimethylbenzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(diethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[4-(methanesulfonamidomethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of N-(2-acetamidoethyl)-4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[1-[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]ethyl]phenyl]-N,N-dimethylbenzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(diethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[4-(methanesulfonamidomethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 157330778) is N-(2-acetamidoethyl)-4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[1-[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]ethyl]phenyl]-N,N-dimethylbenzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(diethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[4-(methanesulfonamidomethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for N-(2-acetamidoethyl)-4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[1-[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]ethyl]phenyl]-N,N-dimethylbenzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(diethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[4-(methanesulfonamidomethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for N-(2-acetamidoethyl)-4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[1-[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]ethyl]phenyl]-N,N-dimethylbenzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(diethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[4-(methanesulfonamidomethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is CC(=O)NCCNC(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.CC(N[C@@H](CO)C(C)(C)C)c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(=O)N(C)C)cc1.CCN(CC)S(=O)(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cc1.CNC(=O)c1ccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2C(F)(F)F)cc1.Cc1cc(F)c(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CNS(C)(=O)=O)cc1.Cc1ccccc1-c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1.[H][H].[H][H].[H][H].

What is the InChIKey of N-(2-acetamidoethyl)-4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[1-[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]ethyl]phenyl]-N,N-dimethylbenzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(diethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[4-(methanesulfonamidomethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is BFGLQCDKODKCDK-XFUPHQJRSA-N. The full InChI is InChI=1S/C34H41N3O5.C29H29N3O5.C28H30N2O5S.C26H21F3N2O4.C26H25FN2O5S.C24H21NO3.3H2/c1-21(35-30(19-38)33(2,3)4)26-13-12-25(18-27(26)22-7-9-23(10-8-22)31(39)37(5)6)36-32(40)34(15-16-34)24-11-14-28-29(17-24)42-20-41-28;1-18-3-9-23(32-28(35)29(11-12-29)22-8-10-25-26(15-22)37-17-36-25)16-24(18)20-4-6-21(7-5-20)27(34)31-14-13-30-19(2)33;1-4-30(5-2)36(32,33)23-11-7-20(8-12-23)24-17-22(10-6-19(24)3)29-27(31)28(14-15-28)21-9-13-25-26(16-21)35-18-34-25;1-30-23(32)16-4-2-15(3-5-16)19-8-7-18(13-20(19)26(27,28)29)31-24(33)25(10-11-25)17-6-9-21-22(12-17)35-14-34-21;1-16-11-21(27)22(13-20(16)18-5-3-17(4-6-18)14-28-35(2,31)32)29-25(30)26(9-10-26)19-7-8-23-24(12-19)34-15-33-23;1-16-4-2-3-5-20(16)17-6-9-19(10-7-17)25-23(26)24(12-13-24)18-8-11-21-22(14-18)28-15-27-21;;;/h7-14,17-18,21,30,35,38H,15-16,19-20H2,1-6H3,(H,36,40);3-10,15-16H,11-14,17H2,1-2H3,(H,30,33)(H,31,34)(H,32,35);6-13,16-17H,4-5,14-15,18H2,1-3H3,(H,29,31);2-9,12-13H,10-11,14H2,1H3,(H,30,32)(H,31,33);3-8,11-13,28H,9-10,14-15H2,1-2H3,(H,29,30);2-11,14H,12-13,15H2,1H3,(H,25,26);3*1H/t21?,30-;;;;;;;;/m0......../s1.

What are the key properties of N-(2-acetamidoethyl)-4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[1-[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]ethyl]phenyl]-N,N-dimethylbenzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(diethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[4-(methanesulfonamidomethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

N-(2-acetamidoethyl)-4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[1-[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]ethyl]phenyl]-N,N-dimethylbenzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(diethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[4-(methanesulfonamidomethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2934.41 g/mol, XLogP of 29.71, 41 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-acetamidoethyl)-4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[1-[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]ethyl]phenyl]-N,N-dimethylbenzamide;4-[4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethyl)phenyl]-N-methylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(diethylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-fluoro-5-[4-(methanesulfonamidomethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 157330778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).