N-[3-[4-[[(2-amino-2-oxoethyl)amino]-hydroxymethyl]phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(1,3-dihydroxypropan-2-yl)benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(pyrrolidin-1-ylmethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-sulfamoylphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;methyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoate;molecular hydrogen

C166H179F3N14O31S — CID 158159418

IUPACN-[3-[4-[[(2-amino-2-oxoethyl)amino]-hydroxymethyl]phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(1,3-dihydroxypropan-2-yl)benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(pyrrolidin-1-ylmethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-sulfamoylphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;methyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoate;molecular hydrogen
SMILESCN(C)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2CN2CCCC2)cc1.COC(=O)c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(=O)N(C)C)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(=O)NC(CO)CO)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(=O)N[C@@H](C)CO)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(O)NCC(N)=O)cc1.NS(=O)(=O)c1ccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2C(F)(F)F)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C31H33N3O4.C28H26N2O6.C28H28N2O6.C28H28N2O5.C27H27N3O5.C24H19F3N2O5S.9H2/c1-33(2)29(35)22-7-5-21(6-8-22)26-18-25(11-9-23(26)19-34-15-3-4-16-34)32-30(36)31(13-14-31)24-10-12-27-28(17-24)38-20-37-27;1-30(2)25(31)18-6-4-17(5-7-18)22-15-20(9-10-21(22)26(32)34-3)29-27(33)28(12-13-28)19-8-11-23-24(14-19)36-16-35-23;1-17-2-8-21(13-23(17)18-3-5-19(6-4-18)26(33)29-22(14-31)15-32)30-27(34)28(10-11-28)20-7-9-24-25(12-20)36-16-35-24;1-17-3-9-22(14-23(17)19-4-6-20(7-5-19)26(32)29-18(2)15-31)30-27(33)28(11-12-28)21-8-10-24-25(13-21)35-16-34-24;1-16-2-8-20(13-21(16)17-3-5-18(6-4-17)25(32)29-14-24(28)31)30-26(33)27(10-11-27)19-7-9-22-23(12-19)35-15-34-22;25-24(26,27)19-12-16(4-7-18(19)14-1-5-17(6-2-14)35(28,31)32)29-22(30)23(9-10-23)15-3-8-20-21(11-15)34-13-33-20;;;;;;;;;/h5-12,17-18H,3-4,13-16,19-20H2,1-2H3,(H,32,36);4-11,14-15H,12-13,16H2,1-3H3,(H,29,33);2-9,12-13,22,31-32H,10-11,14-16H2,1H3,(H,29,33)(H,30,34);3-10,13-14,18,31H,11-12,15-16H2,1-2H3,(H,29,32)(H,30,33);2-9,12-13,25,29,32H,10-11,14-15H2,1H3,(H2,28,31)(H,30,33);1-8,11-12H,9-10,13H2,(H,29,30)(H2,28,31,32);9*1H/t;;;18-;;;;;;;;;;;/m...0.........../s1
InChIKeyFWBYPQPKINNHRX-QXTBVGFPSA-N
MW2955.39 g/mol
LogP26.37
Rot. Bonds41

About N-[3-[4-[[(2-amino-2-oxoethyl)amino]-hydroxymethyl]phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(1,3-dihydroxypropan-2-yl)benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(pyrrolidin-1-ylmethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-sulfamoylphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;methyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoate;molecular hydrogen

N-[3-[4-[[(2-amino-2-oxoethyl)amino]-hydroxymethyl]phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(1,3-dihydroxypropan-2-yl)benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(pyrrolidin-1-ylmethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-sulfamoylphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;methyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoate;molecular hydrogen (PubChem CID 158159418) has the molecular formula C166H179F3N14O31S and a molecular weight of 2955.39 g/mol. Its IUPAC name is N-[3-[4-[[(2-amino-2-oxoethyl)amino]-hydroxymethyl]phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(1,3-dihydroxypropan-2-yl)benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(pyrrolidin-1-ylmethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-sulfamoylphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;methyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoate;molecular hydrogen.

Molecular Properties

Compound NameN-[3-[4-[[(2-amino-2-oxoethyl)amino]-hydroxymethyl]phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(1,3-dihydroxypropan-2-yl)benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(pyrrolidin-1-ylmethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-sulfamoylphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;methyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoate;molecular hydrogen
PubChem CID158159418
Molecular FormulaC166H179F3N14O31S
Molecular Weight2955.39 g/mol
Exact Mass2953.25
IUPAC NameN-[3-[4-[[(2-amino-2-oxoethyl)amino]-hydroxymethyl]phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(1,3-dihydroxypropan-2-yl)benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(pyrrolidin-1-ylmethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-sulfamoylphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;methyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoate;molecular hydrogen
SMILESCN(C)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2CN2CCCC2)cc1.COC(=O)c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(=O)N(C)C)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(=O)NC(CO)CO)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(=O)N[C@@H](C)CO)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(O)NCC(N)=O)cc1.NS(=O)(=O)c1ccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2C(F)(F)F)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C31H33N3O4.C28H26N2O6.C28H28N2O6.C28H28N2O5.C27H27N3O5.C24H19F3N2O5S.9H2/c1-33(2)29(35)22-7-5-21(6-8-22)26-18-25(11-9-23(26)19-34-15-3-4-16-34)32-30(36)31(13-14-31)24-10-12-27-28(17-24)38-20-37-27;1-30(2)25(31)18-6-4-17(5-7-18)22-15-20(9-10-21(22)26(32)34-3)29-27(33)28(12-13-28)19-8-11-23-24(14-19)36-16-35-23;1-17-2-8-21(13-23(17)18-3-5-19(6-4-18)26(33)29-22(14-31)15-32)30-27(34)28(10-11-28)20-7-9-24-25(12-20)36-16-35-24;1-17-3-9-22(14-23(17)19-4-6-20(7-5-19)26(32)29-18(2)15-31)30-27(33)28(11-12-28)21-8-10-24-25(13-21)35-16-34-24;1-16-2-8-20(13-21(16)17-3-5-18(6-4-17)25(32)29-14-24(28)31)30-26(33)27(10-11-27)19-7-9-22-23(12-19)35-15-34-22;25-24(26,27)19-12-16(4-7-18(19)14-1-5-17(6-2-14)35(28,31)32)29-22(30)23(9-10-23)15-3-8-20-21(11-15)34-13-33-20;;;;;;;;;/h5-12,17-18H,3-4,13-16,19-20H2,1-2H3,(H,32,36);4-11,14-15H,12-13,16H2,1-3H3,(H,29,33);2-9,12-13,22,31-32H,10-11,14-16H2,1H3,(H,29,33)(H,30,34);3-10,13-14,18,31H,11-12,15-16H2,1-2H3,(H,29,32)(H,30,33);2-9,12-13,25,29,32H,10-11,14-15H2,1H3,(H2,28,31)(H,30,33);1-8,11-12H,9-10,13H2,(H,29,30)(H2,28,31,32);9*1H/t;;;18-;;;;;;;;;;;/m...0.........../s1
InChIKeyFWBYPQPKINNHRX-QXTBVGFPSA-N
XLogP26.37
TPSA609.92 Ų
H-Bond Donors15
H-Bond Acceptors33
Rotatable Bonds41
Heavy Atoms215
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002955.39
LogP ≤ 526.37
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[3-[4-[[(2-amino-2-oxoethyl)amino]-hydroxymethyl]phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(1,3-dihydroxypropan-2-yl)benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(pyrrolidin-1-ylmethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-sulfamoylphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;methyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoate;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[[(2-amino-2-oxoethyl)amino]-hydroxymethyl]phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(1,3-dihydroxypropan-2-yl)benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(pyrrolidin-1-ylmethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-sulfamoylphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;methyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoate;molecular hydrogen?
The IUPAC name of N-[3-[4-[[(2-amino-2-oxoethyl)amino]-hydroxymethyl]phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(1,3-dihydroxypropan-2-yl)benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(pyrrolidin-1-ylmethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-sulfamoylphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;methyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoate;molecular hydrogen (CID 158159418) is N-[3-[4-[[(2-amino-2-oxoethyl)amino]-hydroxymethyl]phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(1,3-dihydroxypropan-2-yl)benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(pyrrolidin-1-ylmethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-sulfamoylphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;methyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoate;molecular hydrogen.
What is the SMILES notation for N-[3-[4-[[(2-amino-2-oxoethyl)amino]-hydroxymethyl]phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(1,3-dihydroxypropan-2-yl)benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(pyrrolidin-1-ylmethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-sulfamoylphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;methyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoate;molecular hydrogen?
The canonical SMILES for N-[3-[4-[[(2-amino-2-oxoethyl)amino]-hydroxymethyl]phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(1,3-dihydroxypropan-2-yl)benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(pyrrolidin-1-ylmethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-sulfamoylphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;methyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoate;molecular hydrogen is CN(C)C(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2CN2CCCC2)cc1.COC(=O)c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(=O)N(C)C)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(=O)NC(CO)CO)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(=O)N[C@@H](C)CO)cc1.Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(C(O)NCC(N)=O)cc1.NS(=O)(=O)c1ccc(-c2ccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2C(F)(F)F)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-[3-[4-[[(2-amino-2-oxoethyl)amino]-hydroxymethyl]phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(1,3-dihydroxypropan-2-yl)benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(pyrrolidin-1-ylmethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-sulfamoylphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;methyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoate;molecular hydrogen?
The InChIKey is FWBYPQPKINNHRX-QXTBVGFPSA-N. The full InChI is InChI=1S/C31H33N3O4.C28H26N2O6.C28H28N2O6.C28H28N2O5.C27H27N3O5.C24H19F3N2O5S.9H2/c1-33(2)29(35)22-7-5-21(6-8-22)26-18-25(11-9-23(26)19-34-15-3-4-16-34)32-30(36)31(13-14-31)24-10-12-27-28(17-24)38-20-37-27;1-30(2)25(31)18-6-4-17(5-7-18)22-15-20(9-10-21(22)26(32)34-3)29-27(33)28(12-13-28)19-8-11-23-24(14-19)36-16-35-23;1-17-2-8-21(13-23(17)18-3-5-19(6-4-18)26(33)29-22(14-31)15-32)30-27(34)28(10-11-28)20-7-9-24-25(12-20)36-16-35-24;1-17-3-9-22(14-23(17)19-4-6-20(7-5-19)26(32)29-18(2)15-31)30-27(33)28(11-12-28)21-8-10-24-25(13-21)35-16-34-24;1-16-2-8-20(13-21(16)17-3-5-18(6-4-17)25(32)29-14-24(28)31)30-26(33)27(10-11-27)19-7-9-22-23(12-19)35-15-34-22;25-24(26,27)19-12-16(4-7-18(19)14-1-5-17(6-2-14)35(28,31)32)29-22(30)23(9-10-23)15-3-8-20-21(11-15)34-13-33-20;;;;;;;;;/h5-12,17-18H,3-4,13-16,19-20H2,1-2H3,(H,32,36);4-11,14-15H,12-13,16H2,1-3H3,(H,29,33);2-9,12-13,22,31-32H,10-11,14-16H2,1H3,(H,29,33)(H,30,34);3-10,13-14,18,31H,11-12,15-16H2,1-2H3,(H,29,32)(H,30,33);2-9,12-13,25,29,32H,10-11,14-15H2,1H3,(H2,28,31)(H,30,33);1-8,11-12H,9-10,13H2,(H,29,30)(H2,28,31,32);9*1H/t;;;18-;;;;;;;;;;;/m...0.........../s1.
What are the key properties of N-[3-[4-[[(2-amino-2-oxoethyl)amino]-hydroxymethyl]phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(1,3-dihydroxypropan-2-yl)benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(pyrrolidin-1-ylmethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-sulfamoylphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;methyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoate;molecular hydrogen?
N-[3-[4-[[(2-amino-2-oxoethyl)amino]-hydroxymethyl]phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(1,3-dihydroxypropan-2-yl)benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(pyrrolidin-1-ylmethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-sulfamoylphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;methyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoate;molecular hydrogen has a molecular weight of 2955.39 g/mol, XLogP of 26.37, 41 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[[(2-amino-2-oxoethyl)amino]-hydroxymethyl]phenyl]-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-(1,3-dihydroxypropan-2-yl)benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(pyrrolidin-1-ylmethyl)phenyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[4-(4-sulfamoylphenyl)-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;methyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-[4-(dimethylcarbamoyl)phenyl]benzoate;molecular hydrogen is sourced from PubChem (CID 158159418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).