4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(morpholin-4-ylmethyl)phenyl]-N,N-dimethylbenzamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-fluorophenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-propan-2-ylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

C169H174F4N12O26S — CID 158257675

About 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(morpholin-4-ylmethyl)phenyl]-N,N-dimethylbenzamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-fluorophenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-propan-2-ylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(morpholin-4-ylmethyl)phenyl]-N,N-dimethylbenzamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-fluorophenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-propan-2-ylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158257675) has the molecular formula C169H174F4N12O26S and a molecular weight of 2897.37 g/mol. Its IUPAC name is 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(morpholin-4-ylmethyl)phenyl]-N,N-dimethylbenzamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-fluorophenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-propan-2-ylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(morpholin-4-ylmethyl)phenyl]-N,N-dimethylbenzamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-fluorophenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-propan-2-ylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 158257675
• Molecular Formula: C169H174F4N12O26S
• Molecular Weight: 2897.37 g/mol
• Exact Mass: 2895.23
• IUPAC Name: 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(morpholin-4-ylmethyl)phenyl]-N,N-dimethylbenzamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-fluorophenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-propan-2-ylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CC(C)c1ccccc1-c1cccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1.CN(C)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(C(F)(F)F)c2)cc1.CN(C)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2CN2CCOCC2)cc1.CN(C)S(=O)(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2F)cc1.CNC(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C(C)(C)C)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(=O)N[C@H](CO)C(C)(C)C)cc1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C31H33N3O5.C31H34N2O5.C29H30N2O4.C27H23F3N2O4.C26H25NO3.C25H23FN2O5S.3H2/c1-33(2)29(35)22-5-3-21(4-6-22)26-18-25(9-7-23(26)19-34-13-15-37-16-14-34)32-30(36)31(11-12-31)24-8-10-27-28(17-24)39-20-38-27;1-19-5-11-23(32-29(36)31(13-14-31)22-10-12-25-26(15-22)38-18-37-25)16-24(19)20-6-8-21(9-7-20)28(35)33-27(17-34)30(2,3)4;1-28(2,3)23-11-10-21(16-22(23)18-5-7-19(8-6-18)26(32)30-4)31-27(33)29(13-14-29)20-9-12-24-25(15-20)35-17-34-24;1-32(2)24(33)17-5-3-16(4-6-17)18-11-20(27(28,29)30)13-21(12-18)31-25(34)26(9-10-26)19-7-8-22-23(14-19)36-15-35-22;1-17(2)21-8-3-4-9-22(21)18-6-5-7-20(14-18)27-25(28)26(12-13-26)19-10-11-23-24(15-19)30-16-29-23;1-28(2)34(30,31)19-7-3-16(4-8-19)20-14-18(6-9-21(20)26)27-24(29)25(11-12-25)17-5-10-22-23(13-17)33-15-32-22;;;/h3-10,17-18H,11-16,19-20H2,1-2H3,(H,32,36);5-12,15-16,27,34H,13-14,17-18H2,1-4H3,(H,32,36)(H,33,35);5-12,15-16H,13-14,17H2,1-4H3,(H,30,32)(H,31,33);3-8,11-14H,9-10,15H2,1-2H3,(H,31,34);3-11,14-15,17H,12-13,16H2,1-2H3,(H,27,28);3-10,13-14H,11-12,15H2,1-2H3,(H,27,29);3*1H/t;27-;;;;;;;/m.1......./s1
• InChIKey: GHMFNIVPGFJNNH-XVMOUNMRSA-N
• XLogP: 31.12
• TPSA: 454.26 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 35
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2897.37
LogP ≤ 5	31.12
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(morpholin-4-ylmethyl)phenyl]-N,N-dimethylbenzamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-fluorophenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-propan-2-ylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(morpholin-4-ylmethyl)phenyl]-N,N-dimethylbenzamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-fluorophenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-propan-2-ylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 158257675) is 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(morpholin-4-ylmethyl)phenyl]-N,N-dimethylbenzamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-fluorophenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-propan-2-ylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(morpholin-4-ylmethyl)phenyl]-N,N-dimethylbenzamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-fluorophenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-propan-2-ylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(morpholin-4-ylmethyl)phenyl]-N,N-dimethylbenzamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-fluorophenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-propan-2-ylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is CC(C)c1ccccc1-c1cccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1.CN(C)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(C(F)(F)F)c2)cc1.CN(C)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2CN2CCOCC2)cc1.CN(C)S(=O)(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2F)cc1.CNC(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C(C)(C)C)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(=O)N[C@H](CO)C(C)(C)C)cc1.[H][H].[H][H].[H][H].

What is the InChIKey of 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(morpholin-4-ylmethyl)phenyl]-N,N-dimethylbenzamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-fluorophenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-propan-2-ylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is GHMFNIVPGFJNNH-XVMOUNMRSA-N. The full InChI is InChI=1S/C31H33N3O5.C31H34N2O5.C29H30N2O4.C27H23F3N2O4.C26H25NO3.C25H23FN2O5S.3H2/c1-33(2)29(35)22-5-3-21(4-6-22)26-18-25(9-7-23(26)19-34-13-15-37-16-14-34)32-30(36)31(11-12-31)24-8-10-27-28(17-24)39-20-38-27;1-19-5-11-23(32-29(36)31(13-14-31)22-10-12-25-26(15-22)38-18-37-25)16-24(19)20-6-8-21(9-7-20)28(35)33-27(17-34)30(2,3)4;1-28(2,3)23-11-10-21(16-22(23)18-5-7-19(8-6-18)26(32)30-4)31-27(33)29(13-14-29)20-9-12-24-25(15-20)35-17-34-24;1-32(2)24(33)17-5-3-16(4-6-17)18-11-20(27(28,29)30)13-21(12-18)31-25(34)26(9-10-26)19-7-8-22-23(14-19)36-15-35-22;1-17(2)21-8-3-4-9-22(21)18-6-5-7-20(14-18)27-25(28)26(12-13-26)19-10-11-23-24(15-19)30-16-29-23;1-28(2)34(30,31)19-7-3-16(4-8-19)20-14-18(6-9-21(20)26)27-24(29)25(11-12-25)17-5-10-22-23(13-17)33-15-32-22;;;/h3-10,17-18H,11-16,19-20H2,1-2H3,(H,32,36);5-12,15-16,27,34H,13-14,17-18H2,1-4H3,(H,32,36)(H,33,35);5-12,15-16H,13-14,17H2,1-4H3,(H,30,32)(H,31,33);3-8,11-14H,9-10,15H2,1-2H3,(H,31,34);3-11,14-15,17H,12-13,16H2,1-2H3,(H,27,28);3-10,13-14H,11-12,15H2,1-2H3,(H,27,29);3*1H/t;27-;;;;;;;/m.1......./s1.

What are the key properties of 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(morpholin-4-ylmethyl)phenyl]-N,N-dimethylbenzamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-fluorophenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-propan-2-ylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(morpholin-4-ylmethyl)phenyl]-N,N-dimethylbenzamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-fluorophenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-propan-2-ylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2897.37 g/mol, XLogP of 31.12, 35 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylphenyl]-N-methylbenzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(morpholin-4-ylmethyl)phenyl]-N,N-dimethylbenzamide;4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-5-(trifluoromethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[3-[4-(dimethylsulfamoyl)phenyl]-4-fluorophenyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[3-(2-propan-2-ylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158257675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).