N-[[4-(anilinocarbamoyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]diazinan-1-yl]-4-oxobutyl]carbamate;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidin-1-yl]-4-oxobutyl]carbamate;[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-pyrazolidin-1-ylmethanone;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N'-phenylbenzohydrazide

C129H156N28O14S — CID 158823937

IUPACN-[[4-(anilinocarbamoyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]diazinan-1-yl]-4-oxobutyl]carbamate;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidin-1-yl]-4-oxobutyl]carbamate;[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-pyrazolidin-1-ylmethanone;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N'-phenylbenzohydrazide
SMILESCC(C)(C)OC(=O)NCCCC(=O)N1CCCCN1C(=O)c1ccc(CN(Cc2ccccn2)Cc2ncc[nH]2)cc1.CC(C)(C)OC(=O)NCCCC(=O)N1CCCN1C(=O)c1ccc(CN(Cc2ccccn2)Cc2ncc[nH]2)cc1.COCCN1CCN(Cc2ccc(C(=O)NNc3ccccc3)cc2)CC1.O=C(NNc1ccccc1)c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccccc2)cc1.O=C(c1ccc(CN(Cc2ccccn2)Cc2ncc[nH]2)cc1)N1CCCN1
InChIInChI=1S/C31H41N7O4.C30H39N7O4.C26H24N4O3S.C21H24N6O.C21H28N4O2/c1-31(2,3)42-30(41)35-16-8-10-28(39)37-19-6-7-20-38(37)29(40)25-13-11-24(12-14-25)21-36(23-27-33-17-18-34-27)22-26-9-4-5-15-32-26;1-30(2,3)41-29(40)34-15-6-9-27(38)36-18-7-19-37(36)28(39)24-12-10-23(11-13-24)20-35(22-26-32-16-17-33-26)21-25-8-4-5-14-31-25;31-26(29-28-23-9-3-1-4-10-23)22-16-14-21(15-17-22)19-30(20-24-11-7-8-18-27-24)34(32,33)25-12-5-2-6-13-25;28-21(27-13-3-10-25-27)18-7-5-17(6-8-18)14-26(16-20-23-11-12-24-20)15-19-4-1-2-9-22-19;1-27-16-15-24-11-13-25(14-12-24)17-18-7-9-19(10-8-18)21(26)23-22-20-5-3-2-4-6-20/h4-5,9,11-15,17-18H,6-8,10,16,19-23H2,1-3H3,(H,33,34)(H,35,41);4-5,8,10-14,16-17H,6-7,9,15,18-22H2,1-3H3,(H,32,33)(H,34,40);1-18,28H,19-20H2,(H,29,31);1-2,4-9,11-12,25H,3,10,13-16H2,(H,23,24);2-10,22H,11-17H2,1H3,(H,23,26)
InChIKeyIWFHQIJFIZZGPE-UHFFFAOYSA-N
MW2354.92 g/mol
LogP16.99
Rot. Bonds46

About N-[[4-(anilinocarbamoyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]diazinan-1-yl]-4-oxobutyl]carbamate;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidin-1-yl]-4-oxobutyl]carbamate;[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-pyrazolidin-1-ylmethanone;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N'-phenylbenzohydrazide

N-[[4-(anilinocarbamoyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]diazinan-1-yl]-4-oxobutyl]carbamate;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidin-1-yl]-4-oxobutyl]carbamate;[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-pyrazolidin-1-ylmethanone;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N'-phenylbenzohydrazide (PubChem CID 158823937) has the molecular formula C129H156N28O14S and a molecular weight of 2354.92 g/mol. Its IUPAC name is N-[[4-(anilinocarbamoyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]diazinan-1-yl]-4-oxobutyl]carbamate;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidin-1-yl]-4-oxobutyl]carbamate;[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-pyrazolidin-1-ylmethanone;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N'-phenylbenzohydrazide.

Molecular Properties

Compound NameN-[[4-(anilinocarbamoyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]diazinan-1-yl]-4-oxobutyl]carbamate;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidin-1-yl]-4-oxobutyl]carbamate;[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-pyrazolidin-1-ylmethanone;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N'-phenylbenzohydrazide
PubChem CID158823937
Molecular FormulaC129H156N28O14S
Molecular Weight2354.92 g/mol
Exact Mass2353.21
IUPAC NameN-[[4-(anilinocarbamoyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]diazinan-1-yl]-4-oxobutyl]carbamate;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidin-1-yl]-4-oxobutyl]carbamate;[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-pyrazolidin-1-ylmethanone;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N'-phenylbenzohydrazide
SMILESCC(C)(C)OC(=O)NCCCC(=O)N1CCCCN1C(=O)c1ccc(CN(Cc2ccccn2)Cc2ncc[nH]2)cc1.CC(C)(C)OC(=O)NCCCC(=O)N1CCCN1C(=O)c1ccc(CN(Cc2ccccn2)Cc2ncc[nH]2)cc1.COCCN1CCN(Cc2ccc(C(=O)NNc3ccccc3)cc2)CC1.O=C(NNc1ccccc1)c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccccc2)cc1.O=C(c1ccc(CN(Cc2ccccn2)Cc2ncc[nH]2)cc1)N1CCCN1
InChIInChI=1S/C31H41N7O4.C30H39N7O4.C26H24N4O3S.C21H24N6O.C21H28N4O2/c1-31(2,3)42-30(41)35-16-8-10-28(39)37-19-6-7-20-38(37)29(40)25-13-11-24(12-14-25)21-36(23-27-33-17-18-34-27)22-26-9-4-5-15-32-26;1-30(2,3)41-29(40)34-15-6-9-27(38)36-18-7-19-37(36)28(39)24-12-10-23(11-13-24)20-35(22-26-32-16-17-33-26)21-25-8-4-5-14-31-25;31-26(29-28-23-9-3-1-4-10-23)22-16-14-21(15-17-22)19-30(20-24-11-7-8-18-27-24)34(32,33)25-12-5-2-6-13-25;28-21(27-13-3-10-25-27)18-7-5-17(6-8-18)14-26(16-20-23-11-12-24-20)15-19-4-1-2-9-22-19;1-27-16-15-24-11-13-25(14-12-24)17-18-7-9-19(10-8-18)21(26)23-22-20-5-3-2-4-6-20/h4-5,9,11-15,17-18H,6-8,10,16,19-23H2,1-3H3,(H,33,34)(H,35,41);4-5,8,10-14,16-17H,6-7,9,15,18-22H2,1-3H3,(H,32,33)(H,34,40);1-18,28H,19-20H2,(H,29,31);1-2,4-9,11-12,25H,3,10,13-16H2,(H,23,24);2-10,22H,11-17H2,1H3,(H,23,26)
InChIKeyIWFHQIJFIZZGPE-UHFFFAOYSA-N
XLogP16.99
TPSA472.91 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds46
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002354.92
LogP ≤ 516.99
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[4-(anilinocarbamoyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]diazinan-1-yl]-4-oxobutyl]carbamate;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidin-1-yl]-4-oxobutyl]carbamate;[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-pyrazolidin-1-ylmethanone;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N'-phenylbenzohydrazide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(anilinocarbamoyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]diazinan-1-yl]-4-oxobutyl]carbamate;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidin-1-yl]-4-oxobutyl]carbamate;[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-pyrazolidin-1-ylmethanone;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N'-phenylbenzohydrazide?
The IUPAC name of N-[[4-(anilinocarbamoyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]diazinan-1-yl]-4-oxobutyl]carbamate;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidin-1-yl]-4-oxobutyl]carbamate;[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-pyrazolidin-1-ylmethanone;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N'-phenylbenzohydrazide (CID 158823937) is N-[[4-(anilinocarbamoyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]diazinan-1-yl]-4-oxobutyl]carbamate;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidin-1-yl]-4-oxobutyl]carbamate;[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-pyrazolidin-1-ylmethanone;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N'-phenylbenzohydrazide.
What is the SMILES notation for N-[[4-(anilinocarbamoyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]diazinan-1-yl]-4-oxobutyl]carbamate;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidin-1-yl]-4-oxobutyl]carbamate;[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-pyrazolidin-1-ylmethanone;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N'-phenylbenzohydrazide?
The canonical SMILES for N-[[4-(anilinocarbamoyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]diazinan-1-yl]-4-oxobutyl]carbamate;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidin-1-yl]-4-oxobutyl]carbamate;[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-pyrazolidin-1-ylmethanone;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N'-phenylbenzohydrazide is CC(C)(C)OC(=O)NCCCC(=O)N1CCCCN1C(=O)c1ccc(CN(Cc2ccccn2)Cc2ncc[nH]2)cc1.CC(C)(C)OC(=O)NCCCC(=O)N1CCCN1C(=O)c1ccc(CN(Cc2ccccn2)Cc2ncc[nH]2)cc1.COCCN1CCN(Cc2ccc(C(=O)NNc3ccccc3)cc2)CC1.O=C(NNc1ccccc1)c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccccc2)cc1.O=C(c1ccc(CN(Cc2ccccn2)Cc2ncc[nH]2)cc1)N1CCCN1.
What is the InChIKey of N-[[4-(anilinocarbamoyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]diazinan-1-yl]-4-oxobutyl]carbamate;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidin-1-yl]-4-oxobutyl]carbamate;[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-pyrazolidin-1-ylmethanone;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N'-phenylbenzohydrazide?
The InChIKey is IWFHQIJFIZZGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N7O4.C30H39N7O4.C26H24N4O3S.C21H24N6O.C21H28N4O2/c1-31(2,3)42-30(41)35-16-8-10-28(39)37-19-6-7-20-38(37)29(40)25-13-11-24(12-14-25)21-36(23-27-33-17-18-34-27)22-26-9-4-5-15-32-26;1-30(2,3)41-29(40)34-15-6-9-27(38)36-18-7-19-37(36)28(39)24-12-10-23(11-13-24)20-35(22-26-32-16-17-33-26)21-25-8-4-5-14-31-25;31-26(29-28-23-9-3-1-4-10-23)22-16-14-21(15-17-22)19-30(20-24-11-7-8-18-27-24)34(32,33)25-12-5-2-6-13-25;28-21(27-13-3-10-25-27)18-7-5-17(6-8-18)14-26(16-20-23-11-12-24-20)15-19-4-1-2-9-22-19;1-27-16-15-24-11-13-25(14-12-24)17-18-7-9-19(10-8-18)21(26)23-22-20-5-3-2-4-6-20/h4-5,9,11-15,17-18H,6-8,10,16,19-23H2,1-3H3,(H,33,34)(H,35,41);4-5,8,10-14,16-17H,6-7,9,15,18-22H2,1-3H3,(H,32,33)(H,34,40);1-18,28H,19-20H2,(H,29,31);1-2,4-9,11-12,25H,3,10,13-16H2,(H,23,24);2-10,22H,11-17H2,1H3,(H,23,26).
What are the key properties of N-[[4-(anilinocarbamoyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]diazinan-1-yl]-4-oxobutyl]carbamate;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidin-1-yl]-4-oxobutyl]carbamate;[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-pyrazolidin-1-ylmethanone;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N'-phenylbenzohydrazide?
N-[[4-(anilinocarbamoyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]diazinan-1-yl]-4-oxobutyl]carbamate;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidin-1-yl]-4-oxobutyl]carbamate;[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-pyrazolidin-1-ylmethanone;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N'-phenylbenzohydrazide has a molecular weight of 2354.92 g/mol, XLogP of 16.99, 46 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(anilinocarbamoyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]diazinan-1-yl]-4-oxobutyl]carbamate;tert-butyl N-[4-[2-[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]benzoyl]pyrazolidin-1-yl]-4-oxobutyl]carbamate;[4-[[1H-imidazol-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-pyrazolidin-1-ylmethanone;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N'-phenylbenzohydrazide is sourced from PubChem (CID 158823937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).