N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(5-bromo-2-methylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(1H-indol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(3-methoxy-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-oxo-3-phenyl-1-(2-pyrrolidin-1-ylanilino)propan-2-yl]thiophene-2-carboxamide

C179H161BrF6N18O24S5 — CID 158301775

IUPACN-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(5-bromo-2-methylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(1H-indol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(3-methoxy-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-oxo-3-phenyl-1-(2-pyrrolidin-1-ylanilino)propan-2-yl]thiophene-2-carboxamide
SMILESCOc1cccc(NC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)c1C.Cc1ccc(Br)cc1NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2[nH]ccc12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2c1OCO2)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2c1OCO2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Nc1ccccc1N1CCCC1)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Nc1ccccc1OC(F)F)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Nc1ccccc1OC(F)F)c1cccs1
InChIInChI=1S/C24H25N3O2S.C23H21BrN2O3.C23H19F3N2O3.C23H19FN2O4.C22H19N3O2S.C22H22N2O3S.C21H18F2N2O3S.C21H18N2O4S/c28-23(25-19-11-4-5-12-21(19)27-14-6-7-15-27)20(17-18-9-2-1-3-10-18)26-24(29)22-13-8-16-30-22;1-15-7-10-18(24)14-20(15)25-23(29)21(13-16-8-11-19(27)12-9-16)26-22(28)17-5-3-2-4-6-17;24-17-11-5-4-10-16(17)21(29)28-19(14-15-8-2-1-3-9-15)22(30)27-18-12-6-7-13-20(18)31-23(25)26;24-17-10-5-4-9-16(17)22(27)26-19(13-15-7-2-1-3-8-15)23(28)25-18-11-6-12-20-21(18)30-14-29-20;26-21(24-18-9-4-8-17-16(18)11-12-23-17)19(14-15-6-2-1-3-7-15)25-22(27)20-10-5-13-28-20;1-15-17(10-6-11-19(15)27-2)23-21(25)18(14-16-8-4-3-5-9-16)24-22(26)20-12-7-13-28-20;22-21(23)28-17-10-5-4-9-15(17)24-19(26)16(13-14-7-2-1-3-8-14)25-20(27)18-11-6-12-29-18;24-20(22-15-8-4-9-17-19(15)27-13-26-17)16(12-14-6-2-1-3-7-14)23-21(25)18-10-5-11-28-18/h1-5,8-13,16,20H,6-7,14-15,17H2,(H,25,28)(H,26,29);2-12,14,21,27H,13H2,1H3,(H,25,29)(H,26,28);1-13,19,23H,14H2,(H,27,30)(H,28,29);1-12,19H,13-14H2,(H,25,28)(H,26,27);1-13,19,23H,14H2,(H,24,26)(H,25,27);3-13,18H,14H2,1-2H3,(H,23,25)(H,24,26);1-12,16,21H,13H2,(H,24,26)(H,25,27);1-11,16H,12-13H2,(H,22,24)(H,23,25)
InChIKeyGMOTURWPEYZZID-UHFFFAOYSA-N
MW3302.59 g/mol
LogP32.75
Rot. Bonds54

About N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(5-bromo-2-methylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(1H-indol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(3-methoxy-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-oxo-3-phenyl-1-(2-pyrrolidin-1-ylanilino)propan-2-yl]thiophene-2-carboxamide

N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(5-bromo-2-methylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(1H-indol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(3-methoxy-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-oxo-3-phenyl-1-(2-pyrrolidin-1-ylanilino)propan-2-yl]thiophene-2-carboxamide (PubChem CID 158301775) has the molecular formula C179H161BrF6N18O24S5 and a molecular weight of 3302.59 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(5-bromo-2-methylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(1H-indol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(3-methoxy-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-oxo-3-phenyl-1-(2-pyrrolidin-1-ylanilino)propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(5-bromo-2-methylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(1H-indol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(3-methoxy-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-oxo-3-phenyl-1-(2-pyrrolidin-1-ylanilino)propan-2-yl]thiophene-2-carboxamide
PubChem CID158301775
Molecular FormulaC179H161BrF6N18O24S5
Molecular Weight3302.59 g/mol
Exact Mass3298.96
IUPAC NameN-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(5-bromo-2-methylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(1H-indol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(3-methoxy-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-oxo-3-phenyl-1-(2-pyrrolidin-1-ylanilino)propan-2-yl]thiophene-2-carboxamide
SMILESCOc1cccc(NC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)c1C.Cc1ccc(Br)cc1NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2[nH]ccc12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2c1OCO2)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2c1OCO2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Nc1ccccc1N1CCCC1)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Nc1ccccc1OC(F)F)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Nc1ccccc1OC(F)F)c1cccs1
InChIInChI=1S/C24H25N3O2S.C23H21BrN2O3.C23H19F3N2O3.C23H19FN2O4.C22H19N3O2S.C22H22N2O3S.C21H18F2N2O3S.C21H18N2O4S/c28-23(25-19-11-4-5-12-21(19)27-14-6-7-15-27)20(17-18-9-2-1-3-10-18)26-24(29)22-13-8-16-30-22;1-15-7-10-18(24)14-20(15)25-23(29)21(13-16-8-11-19(27)12-9-16)26-22(28)17-5-3-2-4-6-17;24-17-11-5-4-10-16(17)21(29)28-19(14-15-8-2-1-3-9-15)22(30)27-18-12-6-7-13-20(18)31-23(25)26;24-17-10-5-4-9-16(17)22(27)26-19(13-15-7-2-1-3-8-15)23(28)25-18-11-6-12-20-21(18)30-14-29-20;26-21(24-18-9-4-8-17-16(18)11-12-23-17)19(14-15-6-2-1-3-7-15)25-22(27)20-10-5-13-28-20;1-15-17(10-6-11-19(15)27-2)23-21(25)18(14-16-8-4-3-5-9-16)24-22(26)20-12-7-13-28-20;22-21(23)28-17-10-5-4-9-15(17)24-19(26)16(13-14-7-2-1-3-8-14)25-20(27)18-11-6-12-29-18;24-20(22-15-8-4-9-17-19(15)27-13-26-17)16(12-14-6-2-1-3-7-14)23-21(25)18-10-5-11-28-18/h1-5,8-13,16,20H,6-7,14-15,17H2,(H,25,28)(H,26,29);2-12,14,21,27H,13H2,1H3,(H,25,29)(H,26,28);1-13,19,23H,14H2,(H,27,30)(H,28,29);1-12,19H,13-14H2,(H,25,28)(H,26,27);1-13,19,23H,14H2,(H,24,26)(H,25,27);3-13,18H,14H2,1-2H3,(H,23,25)(H,24,26);1-12,16,21H,13H2,(H,24,26)(H,25,27);1-11,16H,12-13H2,(H,22,24)(H,23,25)
InChIKeyGMOTURWPEYZZID-UHFFFAOYSA-N
XLogP32.75
TPSA569.47 Ų
H-Bond Donors18
H-Bond Acceptors30
Rotatable Bonds54
Heavy Atoms233
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003302.59
LogP ≤ 532.75
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1030

Analyze N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(5-bromo-2-methylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(1H-indol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(3-methoxy-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-oxo-3-phenyl-1-(2-pyrrolidin-1-ylanilino)propan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]-2-methylbenzamide
CID 157146267
N-[4-(1,3-benzodioxol-4-yl)-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-(5-bromo-2-methylphenyl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]-2-fluorobenzamide;N-[4-[2-(difluoromethoxy)phenyl]-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indol-4-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(3-methoxy-2-methylphenyl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[3-oxo-1-phenyl-4-(2-pyrrolidin-1-ylphenyl)butan-2-yl]thiophene-2-carboxamide
CID 159713537

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(5-bromo-2-methylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(1H-indol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(3-methoxy-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-oxo-3-phenyl-1-(2-pyrrolidin-1-ylanilino)propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(5-bromo-2-methylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(1H-indol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(3-methoxy-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-oxo-3-phenyl-1-(2-pyrrolidin-1-ylanilino)propan-2-yl]thiophene-2-carboxamide (CID 158301775) is N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(5-bromo-2-methylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(1H-indol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(3-methoxy-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-oxo-3-phenyl-1-(2-pyrrolidin-1-ylanilino)propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(5-bromo-2-methylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(1H-indol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(3-methoxy-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-oxo-3-phenyl-1-(2-pyrrolidin-1-ylanilino)propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(5-bromo-2-methylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(1H-indol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(3-methoxy-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-oxo-3-phenyl-1-(2-pyrrolidin-1-ylanilino)propan-2-yl]thiophene-2-carboxamide is COc1cccc(NC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)c1C.Cc1ccc(Br)cc1NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2[nH]ccc12)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2c1OCO2)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2c1OCO2)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Nc1ccccc1N1CCCC1)c1cccs1.O=C(NC(Cc1ccccc1)C(=O)Nc1ccccc1OC(F)F)c1ccccc1F.O=C(NC(Cc1ccccc1)C(=O)Nc1ccccc1OC(F)F)c1cccs1.
What is the InChIKey of N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(5-bromo-2-methylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(1H-indol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(3-methoxy-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-oxo-3-phenyl-1-(2-pyrrolidin-1-ylanilino)propan-2-yl]thiophene-2-carboxamide?
The InChIKey is GMOTURWPEYZZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S.C23H21BrN2O3.C23H19F3N2O3.C23H19FN2O4.C22H19N3O2S.C22H22N2O3S.C21H18F2N2O3S.C21H18N2O4S/c28-23(25-19-11-4-5-12-21(19)27-14-6-7-15-27)20(17-18-9-2-1-3-10-18)26-24(29)22-13-8-16-30-22;1-15-7-10-18(24)14-20(15)25-23(29)21(13-16-8-11-19(27)12-9-16)26-22(28)17-5-3-2-4-6-17;24-17-11-5-4-10-16(17)21(29)28-19(14-15-8-2-1-3-9-15)22(30)27-18-12-6-7-13-20(18)31-23(25)26;24-17-10-5-4-9-16(17)22(27)26-19(13-15-7-2-1-3-8-15)23(28)25-18-11-6-12-20-21(18)30-14-29-20;26-21(24-18-9-4-8-17-16(18)11-12-23-17)19(14-15-6-2-1-3-7-15)25-22(27)20-10-5-13-28-20;1-15-17(10-6-11-19(15)27-2)23-21(25)18(14-16-8-4-3-5-9-16)24-22(26)20-12-7-13-28-20;22-21(23)28-17-10-5-4-9-15(17)24-19(26)16(13-14-7-2-1-3-8-14)25-20(27)18-11-6-12-29-18;24-20(22-15-8-4-9-17-19(15)27-13-26-17)16(12-14-6-2-1-3-7-14)23-21(25)18-10-5-11-28-18/h1-5,8-13,16,20H,6-7,14-15,17H2,(H,25,28)(H,26,29);2-12,14,21,27H,13H2,1H3,(H,25,29)(H,26,28);1-13,19,23H,14H2,(H,27,30)(H,28,29);1-12,19H,13-14H2,(H,25,28)(H,26,27);1-13,19,23H,14H2,(H,24,26)(H,25,27);3-13,18H,14H2,1-2H3,(H,23,25)(H,24,26);1-12,16,21H,13H2,(H,24,26)(H,25,27);1-11,16H,12-13H2,(H,22,24)(H,23,25).
What are the key properties of N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(5-bromo-2-methylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(1H-indol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(3-methoxy-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-oxo-3-phenyl-1-(2-pyrrolidin-1-ylanilino)propan-2-yl]thiophene-2-carboxamide?
N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(5-bromo-2-methylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(1H-indol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(3-methoxy-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-oxo-3-phenyl-1-(2-pyrrolidin-1-ylanilino)propan-2-yl]thiophene-2-carboxamide has a molecular weight of 3302.59 g/mol, XLogP of 32.75, 54 rotatable bonds, 18 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-(1,3-benzodioxol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(5-bromo-2-methylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzamide;N-[1-[2-(difluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(1H-indol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-(3-methoxy-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;N-[1-oxo-3-phenyl-1-(2-pyrrolidin-1-ylanilino)propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 158301775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).