N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide;methane

C85H92N20O12S4 — CID 160885005

IUPACN-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide;methane
SMILESC.CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1.CCn1c(CNc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)nc2ccccc21.Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)n1.Cc1cc(C)nc(NS(=O)(=O)c2ccc(NCc3nc4ccccc4n3C)cc2)n1
InChIInChI=1S/C22H24N6O2S.C21H22N6O2S.C21H22N4O4S.C20H20N4O4S.CH4/c1-4-28-20-8-6-5-7-19(20)26-21(28)14-23-17-9-11-18(12-10-17)31(29,30)27-22-24-15(2)13-16(3)25-22;1-14-12-15(2)24-21(23-14)26-30(28,29)17-10-8-16(9-11-17)22-13-20-25-18-6-4-5-7-19(18)27(20)3;1-4-29-18-9-5-16(6-10-18)20(26)24-17-7-11-19(12-8-17)30(27,28)25-21-22-14(2)13-15(3)23-21;1-14-12-15(2)22-20(21-14)24-29(26,27)18-10-8-16(9-11-18)23-19(25)13-28-17-6-4-3-5-7-17;/h5-13,23H,4,14H2,1-3H3,(H,24,25,27);4-12,22H,13H2,1-3H3,(H,23,24,26);5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25);3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24);1H4
InChIKeySNNGMDMUEKGCJO-UHFFFAOYSA-N
MW1714.07 g/mol
LogP14.36
Rot. Bonds27

About N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide;methane

N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide;methane (PubChem CID 160885005) has the molecular formula C85H92N20O12S4 and a molecular weight of 1714.07 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide;methane.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide;methane
PubChem CID160885005
Molecular FormulaC85H92N20O12S4
Molecular Weight1714.07 g/mol
Exact Mass1712.61
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide;methane
SMILESC.CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1.CCn1c(CNc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)nc2ccccc21.Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)n1.Cc1cc(C)nc(NS(=O)(=O)c2ccc(NCc3nc4ccccc4n3C)cc2)n1
InChIInChI=1S/C22H24N6O2S.C21H22N6O2S.C21H22N4O4S.C20H20N4O4S.CH4/c1-4-28-20-8-6-5-7-19(20)26-21(28)14-23-17-9-11-18(12-10-17)31(29,30)27-22-24-15(2)13-16(3)25-22;1-14-12-15(2)24-21(23-14)26-30(28,29)17-10-8-16(9-11-17)22-13-20-25-18-6-4-5-7-19(18)27(20)3;1-4-29-18-9-5-16(6-10-18)20(26)24-17-7-11-19(12-8-17)30(27,28)25-21-22-14(2)13-15(3)23-21;1-14-12-15(2)22-20(21-14)24-29(26,27)18-10-8-16(9-11-18)23-19(25)13-28-17-6-4-3-5-7-17;/h5-13,23H,4,14H2,1-3H3,(H,24,25,27);4-12,22H,13H2,1-3H3,(H,23,24,26);5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25);3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24);1H4
InChIKeySNNGMDMUEKGCJO-UHFFFAOYSA-N
XLogP14.36
TPSA424.16 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds27
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001714.07
LogP ≤ 514.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide;methane with MolForge

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Related Compounds

N-[2-[4-[2-(benzenesulfonamido)-2-oxoethoxy]phenyl]ethyl]-2-(1H-benzimidazol-2-ylmethyl)-3-methylbenzimidazole-5-carboxamide
CID 44315531
1-cyclohexyl-2-[4-[2-[3-(dimethylamino)propylamino]-2-oxo-ethoxy]phenyl]-N-[(4-sulfamoylphenyl)methyl]benzimidazole-5-carboxamide
CID 490969
4-methoxy-N-[1-methyl-4-[methyl-[2-(3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]amino]benzimidazol-2-yl]benzamide
CID 69264837
N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 158659471
2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;2-[3-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole)
CID 160707805
(E)-3-[2-[2-(benzenesulfonamido)ethyl]-1-ethylbenzimidazol-5-yl]-N-hydroxyprop-2-enamide;(E)-3-[2-[2-(benzylamino)ethyl]-1-ethylbenzimidazol-5-yl]-N-hydroxyprop-2-enamide;(E)-3-[1-ethyl-2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;(E)-3-[1-ethyl-2-[2-[(2-phenylacetyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide;(E)-N-hydroxy-3-[2-(2-phenylethyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]prop-2-enamide
CID 161922413
2-[(4-methoxyphenyl)methyl-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-2-(1-methylbenzimidazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 3201348
N-(4-((4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)sulfonyl)phenyl)-4-ethoxybenzamide
CID 29043649
N-(4-((4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)sulfonyl)phenyl)-4-isopropoxybenzamide
CID 29043652
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 56164224
(2S)-2-[(4-methoxyphenyl)methyl-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-2-(1-methylbenzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 98104340
(2R)-2-[(4-methoxyphenyl)methyl-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-2-(1-methylbenzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 98104342

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide;methane?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide;methane (CID 160885005) is N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide;methane.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide;methane?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide;methane is C.CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1.CCn1c(CNc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)nc2ccccc21.Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)n1.Cc1cc(C)nc(NS(=O)(=O)c2ccc(NCc3nc4ccccc4n3C)cc2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide;methane?
The InChIKey is SNNGMDMUEKGCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2S.C21H22N6O2S.C21H22N4O4S.C20H20N4O4S.CH4/c1-4-28-20-8-6-5-7-19(20)26-21(28)14-23-17-9-11-18(12-10-17)31(29,30)27-22-24-15(2)13-16(3)25-22;1-14-12-15(2)24-21(23-14)26-30(28,29)17-10-8-16(9-11-17)22-13-20-25-18-6-4-5-7-19(18)27(20)3;1-4-29-18-9-5-16(6-10-18)20(26)24-17-7-11-19(12-8-17)30(27,28)25-21-22-14(2)13-15(3)23-21;1-14-12-15(2)22-20(21-14)24-29(26,27)18-10-8-16(9-11-18)23-19(25)13-28-17-6-4-3-5-7-17;/h5-13,23H,4,14H2,1-3H3,(H,24,25,27);4-12,22H,13H2,1-3H3,(H,23,24,26);5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25);3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24);1H4.
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide;methane?
N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide;methane has a molecular weight of 1714.07 g/mol, XLogP of 14.36, 27 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide;methane is sourced from PubChem (CID 160885005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).