N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;4-(1H-benzimidazol-2-ylmethylsulfamoyl)-N-benzylbenzamide;N,N-dibenzyl-4-(ethylaminomethyl)benzenesulfonamide;N,N-dibenzyl-4-[(furan-2-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(2-methoxyethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzenesulfonamide;methane

C153H161N17O15S6 — CID 158697169

IUPACN-(1H-benzimidazol-2-ylmethyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;4-(1H-benzimidazol-2-ylmethylsulfamoyl)-N-benzylbenzamide;N,N-dibenzyl-4-(ethylaminomethyl)benzenesulfonamide;N,N-dibenzyl-4-[(furan-2-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(2-methoxyethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzenesulfonamide;methane
SMILESC.CCNCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.COCCNCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.Cc1cccnc1CNCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.O=C(NCc1ccccc1)c1ccc(S(=O)(=O)NCc2nc3ccccc3[nH]2)cc1.O=S(=O)(c1ccc(CNCc2ccccc2)cc1)N(Cc1ccccc1)Cc1nc2ccccc2[nH]1.O=S(=O)(c1ccc(CNCc2ccco2)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C29H28N4O2S.C28H29N3O2S.C26H26N2O3S.C24H28N2O3S.C23H26N2O2S.C22H20N4O3S.CH4/c34-36(35,26-17-15-24(16-18-26)20-30-19-23-9-3-1-4-10-23)33(21-25-11-5-2-6-12-25)22-29-31-27-13-7-8-14-28(27)32-29;1-23-9-8-18-30-28(23)20-29-19-24-14-16-27(17-15-24)34(32,33)31(21-25-10-4-2-5-11-25)22-26-12-6-3-7-13-26;29-32(30,26-15-13-22(14-16-26)18-27-19-25-12-7-17-31-25)28(20-23-8-3-1-4-9-23)21-24-10-5-2-6-11-24;1-29-17-16-25-18-21-12-14-24(15-13-21)30(27,28)26(19-22-8-4-2-5-9-22)20-23-10-6-3-7-11-23;1-2-24-17-20-13-15-23(16-14-20)28(26,27)25(18-21-9-5-3-6-10-21)19-22-11-7-4-8-12-22;27-22(23-14-16-6-2-1-3-7-16)17-10-12-18(13-11-17)30(28,29)24-15-21-25-19-8-4-5-9-20(19)26-21;/h1-18,30H,19-22H2,(H,31,32);2-18,29H,19-22H2,1H3;1-17,27H,18-21H2;2-15,25H,16-20H2,1H3;3-16,24H,2,17-19H2,1H3;1-13,24H,14-15H2,(H,23,27)(H,25,26);1H4
InChIKeyIHBZZDKQQYFXDY-UHFFFAOYSA-N
MW2670.48 g/mol
LogP26.88
Rot. Bonds57

About N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;4-(1H-benzimidazol-2-ylmethylsulfamoyl)-N-benzylbenzamide;N,N-dibenzyl-4-(ethylaminomethyl)benzenesulfonamide;N,N-dibenzyl-4-[(furan-2-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(2-methoxyethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzenesulfonamide;methane

N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;4-(1H-benzimidazol-2-ylmethylsulfamoyl)-N-benzylbenzamide;N,N-dibenzyl-4-(ethylaminomethyl)benzenesulfonamide;N,N-dibenzyl-4-[(furan-2-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(2-methoxyethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzenesulfonamide;methane (PubChem CID 158697169) has the molecular formula C153H161N17O15S6 and a molecular weight of 2670.48 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;4-(1H-benzimidazol-2-ylmethylsulfamoyl)-N-benzylbenzamide;N,N-dibenzyl-4-(ethylaminomethyl)benzenesulfonamide;N,N-dibenzyl-4-[(furan-2-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(2-methoxyethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzenesulfonamide;methane.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;4-(1H-benzimidazol-2-ylmethylsulfamoyl)-N-benzylbenzamide;N,N-dibenzyl-4-(ethylaminomethyl)benzenesulfonamide;N,N-dibenzyl-4-[(furan-2-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(2-methoxyethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzenesulfonamide;methane
PubChem CID158697169
Molecular FormulaC153H161N17O15S6
Molecular Weight2670.48 g/mol
Exact Mass2668.07
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;4-(1H-benzimidazol-2-ylmethylsulfamoyl)-N-benzylbenzamide;N,N-dibenzyl-4-(ethylaminomethyl)benzenesulfonamide;N,N-dibenzyl-4-[(furan-2-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(2-methoxyethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzenesulfonamide;methane
SMILESC.CCNCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.COCCNCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.Cc1cccnc1CNCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.O=C(NCc1ccccc1)c1ccc(S(=O)(=O)NCc2nc3ccccc3[nH]2)cc1.O=S(=O)(c1ccc(CNCc2ccccc2)cc1)N(Cc1ccccc1)Cc1nc2ccccc2[nH]1.O=S(=O)(c1ccc(CNCc2ccco2)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C29H28N4O2S.C28H29N3O2S.C26H26N2O3S.C24H28N2O3S.C23H26N2O2S.C22H20N4O3S.CH4/c34-36(35,26-17-15-24(16-18-26)20-30-19-23-9-3-1-4-10-23)33(21-25-11-5-2-6-12-25)22-29-31-27-13-7-8-14-28(27)32-29;1-23-9-8-18-30-28(23)20-29-19-24-14-16-27(17-15-24)34(32,33)31(21-25-10-4-2-5-11-25)22-26-12-6-3-7-13-26;29-32(30,26-15-13-22(14-16-26)18-27-19-25-12-7-17-31-25)28(20-23-8-3-1-4-9-23)21-24-10-5-2-6-11-24;1-29-17-16-25-18-21-12-14-24(15-13-21)30(27,28)26(19-22-8-4-2-5-9-22)20-23-10-6-3-7-11-23;1-2-24-17-20-13-15-23(16-14-20)28(26,27)25(18-21-9-5-3-6-10-21)19-22-11-7-4-8-12-22;27-22(23-14-16-6-2-1-3-7-16)17-10-12-18(13-11-17)30(28,29)24-15-21-25-19-8-4-5-9-20(19)26-21;/h1-18,30H,19-22H2,(H,31,32);2-18,29H,19-22H2,1H3;1-17,27H,18-21H2;2-15,25H,16-20H2,1H3;3-16,24H,2,17-19H2,1H3;1-13,24H,14-15H2,(H,23,27)(H,25,26);1H4
InChIKeyIHBZZDKQQYFXDY-UHFFFAOYSA-N
XLogP26.88
TPSA414.94 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds57
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002670.48
LogP ≤ 526.88
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;4-(1H-benzimidazol-2-ylmethylsulfamoyl)-N-benzylbenzamide;N,N-dibenzyl-4-(ethylaminomethyl)benzenesulfonamide;N,N-dibenzyl-4-[(furan-2-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(2-methoxyethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzenesulfonamide;methane with MolForge

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Related Compounds

4-[benzyl(ethyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060492
N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297863
4-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-benzylbenzamide
CID 129067460
N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide
CID 59826293
N-[(2-ethoxy-4-pyridinyl)methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55707674
4-(furan-2-ylmethylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 24538489
N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide
CID 59825992
N-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059880
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 18124167
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide
CID 21008890
1-N-benzyl-4-N-(furan-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide
CID 655016
4-(diethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 2596785

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;4-(1H-benzimidazol-2-ylmethylsulfamoyl)-N-benzylbenzamide;N,N-dibenzyl-4-(ethylaminomethyl)benzenesulfonamide;N,N-dibenzyl-4-[(furan-2-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(2-methoxyethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzenesulfonamide;methane?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;4-(1H-benzimidazol-2-ylmethylsulfamoyl)-N-benzylbenzamide;N,N-dibenzyl-4-(ethylaminomethyl)benzenesulfonamide;N,N-dibenzyl-4-[(furan-2-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(2-methoxyethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzenesulfonamide;methane (CID 158697169) is N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;4-(1H-benzimidazol-2-ylmethylsulfamoyl)-N-benzylbenzamide;N,N-dibenzyl-4-(ethylaminomethyl)benzenesulfonamide;N,N-dibenzyl-4-[(furan-2-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(2-methoxyethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzenesulfonamide;methane.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;4-(1H-benzimidazol-2-ylmethylsulfamoyl)-N-benzylbenzamide;N,N-dibenzyl-4-(ethylaminomethyl)benzenesulfonamide;N,N-dibenzyl-4-[(furan-2-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(2-methoxyethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzenesulfonamide;methane?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;4-(1H-benzimidazol-2-ylmethylsulfamoyl)-N-benzylbenzamide;N,N-dibenzyl-4-(ethylaminomethyl)benzenesulfonamide;N,N-dibenzyl-4-[(furan-2-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(2-methoxyethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzenesulfonamide;methane is C.CCNCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.COCCNCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.Cc1cccnc1CNCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.O=C(NCc1ccccc1)c1ccc(S(=O)(=O)NCc2nc3ccccc3[nH]2)cc1.O=S(=O)(c1ccc(CNCc2ccccc2)cc1)N(Cc1ccccc1)Cc1nc2ccccc2[nH]1.O=S(=O)(c1ccc(CNCc2ccco2)cc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;4-(1H-benzimidazol-2-ylmethylsulfamoyl)-N-benzylbenzamide;N,N-dibenzyl-4-(ethylaminomethyl)benzenesulfonamide;N,N-dibenzyl-4-[(furan-2-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(2-methoxyethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzenesulfonamide;methane?
The InChIKey is IHBZZDKQQYFXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2S.C28H29N3O2S.C26H26N2O3S.C24H28N2O3S.C23H26N2O2S.C22H20N4O3S.CH4/c34-36(35,26-17-15-24(16-18-26)20-30-19-23-9-3-1-4-10-23)33(21-25-11-5-2-6-12-25)22-29-31-27-13-7-8-14-28(27)32-29;1-23-9-8-18-30-28(23)20-29-19-24-14-16-27(17-15-24)34(32,33)31(21-25-10-4-2-5-11-25)22-26-12-6-3-7-13-26;29-32(30,26-15-13-22(14-16-26)18-27-19-25-12-7-17-31-25)28(20-23-8-3-1-4-9-23)21-24-10-5-2-6-11-24;1-29-17-16-25-18-21-12-14-24(15-13-21)30(27,28)26(19-22-8-4-2-5-9-22)20-23-10-6-3-7-11-23;1-2-24-17-20-13-15-23(16-14-20)28(26,27)25(18-21-9-5-3-6-10-21)19-22-11-7-4-8-12-22;27-22(23-14-16-6-2-1-3-7-16)17-10-12-18(13-11-17)30(28,29)24-15-21-25-19-8-4-5-9-20(19)26-21;/h1-18,30H,19-22H2,(H,31,32);2-18,29H,19-22H2,1H3;1-17,27H,18-21H2;2-15,25H,16-20H2,1H3;3-16,24H,2,17-19H2,1H3;1-13,24H,14-15H2,(H,23,27)(H,25,26);1H4.
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;4-(1H-benzimidazol-2-ylmethylsulfamoyl)-N-benzylbenzamide;N,N-dibenzyl-4-(ethylaminomethyl)benzenesulfonamide;N,N-dibenzyl-4-[(furan-2-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(2-methoxyethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzenesulfonamide;methane?
N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;4-(1H-benzimidazol-2-ylmethylsulfamoyl)-N-benzylbenzamide;N,N-dibenzyl-4-(ethylaminomethyl)benzenesulfonamide;N,N-dibenzyl-4-[(furan-2-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(2-methoxyethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzenesulfonamide;methane has a molecular weight of 2670.48 g/mol, XLogP of 26.88, 57 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;4-(1H-benzimidazol-2-ylmethylsulfamoyl)-N-benzylbenzamide;N,N-dibenzyl-4-(ethylaminomethyl)benzenesulfonamide;N,N-dibenzyl-4-[(furan-2-ylmethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[(2-methoxyethylamino)methyl]benzenesulfonamide;N,N-dibenzyl-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzenesulfonamide;methane is sourced from PubChem (CID 158697169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).