N-[4-[(2,4-dimethyl-3-phenylphenyl)sulfonylamino]anilino]formamide;1-[2-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]-N-[6-[[3-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;N-[2-[2-(ethoxyamino)ethylsulfanyl]ethyl]-1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[2-[2-[2-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]ethoxy]ethoxy]ethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[6-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;molecular nitrogen

C205H234F6N42O38S9+4 — CID 91354223

IUPACN-[4-[(2,4-dimethyl-3-phenylphenyl)sulfonylamino]anilino]formamide;1-[2-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]-N-[6-[[3-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;N-[2-[2-(ethoxyamino)ethylsulfanyl]ethyl]-1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[2-[2-[2-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]ethoxy]ethoxy]ethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[6-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;molecular nitrogen
SMILESCCONCCSCCNC(=O)c1ccc[n+](CC(=O)Nc2c(C)ccc(S(=O)(=O)Nc3ccc(NNC=O)cc3)c2C)c1.Cc1ccc(S(=O)(=O)Nc2ccc(NNC(=O)C(F)(F)F)cc2)c(C)c1NC(=O)C[n+]1cccc(C(=O)NCCCCCCNOCc2cccc(-c3c(C)ccc(S(=O)(=O)Nc4ccc(NNC(=O)C(F)(F)F)cc4)c3C)c2)c1.Cc1ccc(S(=O)(=O)Nc2ccc(NNC=O)cc2)c(C)c1-c1ccccc1.Cc1ccc(S(=O)(=O)Nc2ccc(NNC=O)cc2)c(C)c1NC(=O)C[n+]1cccc(C(=O)NCCCCCCNOCc2cccc(-c3c(C)ccc(S(=O)(=O)Nc4ccc(NNC=O)cc4)c3C)c2)c1.Cc1ccc(S(=O)(=O)Nc2ccc(NNC=O)cc2)c(C)c1NC(=O)C[n+]1cccc(C(=O)NCCOCCOCCNOCc2cccc(-c3c(C)ccc(S(=O)(=O)Nc4ccc(NNC=O)cc4)c3C)c2)c1.N#N
InChIInChI=1S/C53H56F6N10O9S2.C51H58N10O11S2.C51H58N10O9S2.C29H37N7O6S2.C21H21N3O3S.N2/c1-33-14-24-44(79(74,75)67-42-20-16-40(17-21-42)63-65-50(72)52(54,55)56)35(3)47(33)38-12-9-11-37(29-38)32-78-61-27-8-6-5-7-26-60-49(71)39-13-10-28-69(30-39)31-46(70)62-48-34(2)15-25-45(36(48)4)80(76,77)68-43-22-18-41(19-23-43)64-66-51(73)53(57,58)59;1-35-10-20-46(73(66,67)59-44-16-12-42(13-17-44)57-53-33-62)37(3)49(35)40-8-5-7-39(29-40)32-72-55-23-26-71-28-27-70-25-22-52-51(65)41-9-6-24-61(30-41)31-48(64)56-50-36(2)11-21-47(38(50)4)74(68,69)60-45-18-14-43(15-19-45)58-54-34-63;1-35-14-24-46(71(66,67)59-44-20-16-42(17-21-44)57-53-33-62)37(3)49(35)40-12-9-11-39(29-40)32-70-55-27-8-6-5-7-26-52-51(65)41-13-10-28-61(30-41)31-48(64)56-50-36(2)15-25-47(38(50)4)72(68,69)60-45-22-18-43(19-23-45)58-54-34-63;1-4-42-32-14-17-43-16-13-30-29(39)23-6-5-15-36(18-23)19-27(38)33-28-21(2)7-12-26(22(28)3)44(40,41)35-25-10-8-24(9-11-25)34-31-20-37;1-15-8-13-20(16(2)21(15)17-6-4-3-5-7-17)28(26,27)24-19-11-9-18(10-12-19)23-22-14-25;1-2/h9-25,28-30,61,63-64,67-68H,5-8,26-27,31-32H2,1-4H3,(H3-,60,62,65,66,70,71,72,73);5-21,24,29-30,33-34,55,57-60H,22-23,25-28,31-32H2,1-4H3,(H3-,52,53,54,56,62,63,64,65);9-25,28-30,33-34,55,57-60H,5-8,26-27,31-32H2,1-4H3,(H3-,52,53,54,56,62,63,64,65);5-12,15,18,20,32,34-35H,4,13-14,16-17,19H2,1-3H3,(H2-,30,31,33,37,38,39);3-14,23-24H,1-2H3,(H,22,25);/p+4
InChIKeyOQNREBRCVKNISM-UHFFFAOYSA-R
MW4296.97 g/mol
LogP25.14
Rot. Bonds106

About N-[4-[(2,4-dimethyl-3-phenylphenyl)sulfonylamino]anilino]formamide;1-[2-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]-N-[6-[[3-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;N-[2-[2-(ethoxyamino)ethylsulfanyl]ethyl]-1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[2-[2-[2-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]ethoxy]ethoxy]ethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[6-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;molecular nitrogen

N-[4-[(2,4-dimethyl-3-phenylphenyl)sulfonylamino]anilino]formamide;1-[2-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]-N-[6-[[3-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;N-[2-[2-(ethoxyamino)ethylsulfanyl]ethyl]-1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[2-[2-[2-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]ethoxy]ethoxy]ethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[6-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;molecular nitrogen (PubChem CID 91354223) has the molecular formula C205H234F6N42O38S9+4 and a molecular weight of 4296.97 g/mol. Its IUPAC name is N-[4-[(2,4-dimethyl-3-phenylphenyl)sulfonylamino]anilino]formamide;1-[2-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]-N-[6-[[3-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;N-[2-[2-(ethoxyamino)ethylsulfanyl]ethyl]-1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[2-[2-[2-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]ethoxy]ethoxy]ethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[6-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;molecular nitrogen.

Molecular Properties

Compound NameN-[4-[(2,4-dimethyl-3-phenylphenyl)sulfonylamino]anilino]formamide;1-[2-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]-N-[6-[[3-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;N-[2-[2-(ethoxyamino)ethylsulfanyl]ethyl]-1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[2-[2-[2-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]ethoxy]ethoxy]ethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[6-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;molecular nitrogen
PubChem CID91354223
Molecular FormulaC205H234F6N42O38S9+4
Molecular Weight4296.97 g/mol
Exact Mass4293.50
IUPAC NameN-[4-[(2,4-dimethyl-3-phenylphenyl)sulfonylamino]anilino]formamide;1-[2-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]-N-[6-[[3-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;N-[2-[2-(ethoxyamino)ethylsulfanyl]ethyl]-1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[2-[2-[2-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]ethoxy]ethoxy]ethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[6-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;molecular nitrogen
SMILESCCONCCSCCNC(=O)c1ccc[n+](CC(=O)Nc2c(C)ccc(S(=O)(=O)Nc3ccc(NNC=O)cc3)c2C)c1.Cc1ccc(S(=O)(=O)Nc2ccc(NNC(=O)C(F)(F)F)cc2)c(C)c1NC(=O)C[n+]1cccc(C(=O)NCCCCCCNOCc2cccc(-c3c(C)ccc(S(=O)(=O)Nc4ccc(NNC(=O)C(F)(F)F)cc4)c3C)c2)c1.Cc1ccc(S(=O)(=O)Nc2ccc(NNC=O)cc2)c(C)c1-c1ccccc1.Cc1ccc(S(=O)(=O)Nc2ccc(NNC=O)cc2)c(C)c1NC(=O)C[n+]1cccc(C(=O)NCCCCCCNOCc2cccc(-c3c(C)ccc(S(=O)(=O)Nc4ccc(NNC=O)cc4)c3C)c2)c1.Cc1ccc(S(=O)(=O)Nc2ccc(NNC=O)cc2)c(C)c1NC(=O)C[n+]1cccc(C(=O)NCCOCCOCCNOCc2cccc(-c3c(C)ccc(S(=O)(=O)Nc4ccc(NNC=O)cc4)c3C)c2)c1.N#N
InChIInChI=1S/C53H56F6N10O9S2.C51H58N10O11S2.C51H58N10O9S2.C29H37N7O6S2.C21H21N3O3S.N2/c1-33-14-24-44(79(74,75)67-42-20-16-40(17-21-42)63-65-50(72)52(54,55)56)35(3)47(33)38-12-9-11-37(29-38)32-78-61-27-8-6-5-7-26-60-49(71)39-13-10-28-69(30-39)31-46(70)62-48-34(2)15-25-45(36(48)4)80(76,77)68-43-22-18-41(19-23-43)64-66-51(73)53(57,58)59;1-35-10-20-46(73(66,67)59-44-16-12-42(13-17-44)57-53-33-62)37(3)49(35)40-8-5-7-39(29-40)32-72-55-23-26-71-28-27-70-25-22-52-51(65)41-9-6-24-61(30-41)31-48(64)56-50-36(2)11-21-47(38(50)4)74(68,69)60-45-18-14-43(15-19-45)58-54-34-63;1-35-14-24-46(71(66,67)59-44-20-16-42(17-21-44)57-53-33-62)37(3)49(35)40-12-9-11-39(29-40)32-70-55-27-8-6-5-7-26-52-51(65)41-13-10-28-61(30-41)31-48(64)56-50-36(2)15-25-47(38(50)4)72(68,69)60-45-22-18-43(19-23-45)58-54-34-63;1-4-42-32-14-17-43-16-13-30-29(39)23-6-5-15-36(18-23)19-27(38)33-28-21(2)7-12-26(22(28)3)44(40,41)35-25-10-8-24(9-11-25)34-31-20-37;1-15-8-13-20(16(2)21(15)17-6-4-3-5-7-17)28(26,27)24-19-11-9-18(10-12-19)23-22-14-25;1-2/h9-25,28-30,61,63-64,67-68H,5-8,26-27,31-32H2,1-4H3,(H3-,60,62,65,66,70,71,72,73);5-21,24,29-30,33-34,55,57-60H,22-23,25-28,31-32H2,1-4H3,(H3-,52,53,54,56,62,63,64,65);9-25,28-30,33-34,55,57-60H,5-8,26-27,31-32H2,1-4H3,(H3-,52,53,54,56,62,63,64,65);5-12,15,18,20,32,34-35H,4,13-14,16-17,19H2,1-3H3,(H2-,30,31,33,37,38,39);3-14,23-24H,1-2H3,(H,22,25);/p+4
InChIKeyOQNREBRCVKNISM-UHFFFAOYSA-R
XLogP25.14
TPSA1097.80 Ų
H-Bond Donors36
H-Bond Acceptors53
Rotatable Bonds106
Heavy Atoms300
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004296.97
LogP ≤ 525.14
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1053

Analyze N-[4-[(2,4-dimethyl-3-phenylphenyl)sulfonylamino]anilino]formamide;1-[2-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]-N-[6-[[3-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;N-[2-[2-(ethoxyamino)ethylsulfanyl]ethyl]-1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[2-[2-[2-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]ethoxy]ethoxy]ethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[6-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;molecular nitrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dimethyl-3-phenylphenyl)sulfonylamino]anilino]formamide;1-[2-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]-N-[6-[[3-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;N-[2-[2-(ethoxyamino)ethylsulfanyl]ethyl]-1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[2-[2-[2-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]ethoxy]ethoxy]ethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[6-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;molecular nitrogen?
The IUPAC name of N-[4-[(2,4-dimethyl-3-phenylphenyl)sulfonylamino]anilino]formamide;1-[2-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]-N-[6-[[3-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;N-[2-[2-(ethoxyamino)ethylsulfanyl]ethyl]-1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[2-[2-[2-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]ethoxy]ethoxy]ethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[6-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;molecular nitrogen (CID 91354223) is N-[4-[(2,4-dimethyl-3-phenylphenyl)sulfonylamino]anilino]formamide;1-[2-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]-N-[6-[[3-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;N-[2-[2-(ethoxyamino)ethylsulfanyl]ethyl]-1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[2-[2-[2-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]ethoxy]ethoxy]ethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[6-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;molecular nitrogen.
What is the SMILES notation for N-[4-[(2,4-dimethyl-3-phenylphenyl)sulfonylamino]anilino]formamide;1-[2-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]-N-[6-[[3-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;N-[2-[2-(ethoxyamino)ethylsulfanyl]ethyl]-1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[2-[2-[2-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]ethoxy]ethoxy]ethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[6-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;molecular nitrogen?
The canonical SMILES for N-[4-[(2,4-dimethyl-3-phenylphenyl)sulfonylamino]anilino]formamide;1-[2-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]-N-[6-[[3-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;N-[2-[2-(ethoxyamino)ethylsulfanyl]ethyl]-1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[2-[2-[2-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]ethoxy]ethoxy]ethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[6-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;molecular nitrogen is CCONCCSCCNC(=O)c1ccc[n+](CC(=O)Nc2c(C)ccc(S(=O)(=O)Nc3ccc(NNC=O)cc3)c2C)c1.Cc1ccc(S(=O)(=O)Nc2ccc(NNC(=O)C(F)(F)F)cc2)c(C)c1NC(=O)C[n+]1cccc(C(=O)NCCCCCCNOCc2cccc(-c3c(C)ccc(S(=O)(=O)Nc4ccc(NNC(=O)C(F)(F)F)cc4)c3C)c2)c1.Cc1ccc(S(=O)(=O)Nc2ccc(NNC=O)cc2)c(C)c1-c1ccccc1.Cc1ccc(S(=O)(=O)Nc2ccc(NNC=O)cc2)c(C)c1NC(=O)C[n+]1cccc(C(=O)NCCCCCCNOCc2cccc(-c3c(C)ccc(S(=O)(=O)Nc4ccc(NNC=O)cc4)c3C)c2)c1.Cc1ccc(S(=O)(=O)Nc2ccc(NNC=O)cc2)c(C)c1NC(=O)C[n+]1cccc(C(=O)NCCOCCOCCNOCc2cccc(-c3c(C)ccc(S(=O)(=O)Nc4ccc(NNC=O)cc4)c3C)c2)c1.N#N.
What is the InChIKey of N-[4-[(2,4-dimethyl-3-phenylphenyl)sulfonylamino]anilino]formamide;1-[2-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]-N-[6-[[3-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;N-[2-[2-(ethoxyamino)ethylsulfanyl]ethyl]-1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[2-[2-[2-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]ethoxy]ethoxy]ethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[6-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;molecular nitrogen?
The InChIKey is OQNREBRCVKNISM-UHFFFAOYSA-R. The full InChI is InChI=1S/C53H56F6N10O9S2.C51H58N10O11S2.C51H58N10O9S2.C29H37N7O6S2.C21H21N3O3S.N2/c1-33-14-24-44(79(74,75)67-42-20-16-40(17-21-42)63-65-50(72)52(54,55)56)35(3)47(33)38-12-9-11-37(29-38)32-78-61-27-8-6-5-7-26-60-49(71)39-13-10-28-69(30-39)31-46(70)62-48-34(2)15-25-45(36(48)4)80(76,77)68-43-22-18-41(19-23-43)64-66-51(73)53(57,58)59;1-35-10-20-46(73(66,67)59-44-16-12-42(13-17-44)57-53-33-62)37(3)49(35)40-8-5-7-39(29-40)32-72-55-23-26-71-28-27-70-25-22-52-51(65)41-9-6-24-61(30-41)31-48(64)56-50-36(2)11-21-47(38(50)4)74(68,69)60-45-18-14-43(15-19-45)58-54-34-63;1-35-14-24-46(71(66,67)59-44-20-16-42(17-21-44)57-53-33-62)37(3)49(35)40-12-9-11-39(29-40)32-70-55-27-8-6-5-7-26-52-51(65)41-13-10-28-61(30-41)31-48(64)56-50-36(2)15-25-47(38(50)4)72(68,69)60-45-22-18-43(19-23-45)58-54-34-63;1-4-42-32-14-17-43-16-13-30-29(39)23-6-5-15-36(18-23)19-27(38)33-28-21(2)7-12-26(22(28)3)44(40,41)35-25-10-8-24(9-11-25)34-31-20-37;1-15-8-13-20(16(2)21(15)17-6-4-3-5-7-17)28(26,27)24-19-11-9-18(10-12-19)23-22-14-25;1-2/h9-25,28-30,61,63-64,67-68H,5-8,26-27,31-32H2,1-4H3,(H3-,60,62,65,66,70,71,72,73);5-21,24,29-30,33-34,55,57-60H,22-23,25-28,31-32H2,1-4H3,(H3-,52,53,54,56,62,63,64,65);9-25,28-30,33-34,55,57-60H,5-8,26-27,31-32H2,1-4H3,(H3-,52,53,54,56,62,63,64,65);5-12,15,18,20,32,34-35H,4,13-14,16-17,19H2,1-3H3,(H2-,30,31,33,37,38,39);3-14,23-24H,1-2H3,(H,22,25);/p+4.
What are the key properties of N-[4-[(2,4-dimethyl-3-phenylphenyl)sulfonylamino]anilino]formamide;1-[2-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]-N-[6-[[3-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;N-[2-[2-(ethoxyamino)ethylsulfanyl]ethyl]-1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[2-[2-[2-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]ethoxy]ethoxy]ethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[6-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;molecular nitrogen?
N-[4-[(2,4-dimethyl-3-phenylphenyl)sulfonylamino]anilino]formamide;1-[2-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]-N-[6-[[3-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;N-[2-[2-(ethoxyamino)ethylsulfanyl]ethyl]-1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[2-[2-[2-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]ethoxy]ethoxy]ethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[6-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;molecular nitrogen has a molecular weight of 4296.97 g/mol, XLogP of 25.14, 106 rotatable bonds, 36 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dimethyl-3-phenylphenyl)sulfonylamino]anilino]formamide;1-[2-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]-N-[6-[[3-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]phenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;N-[2-[2-(ethoxyamino)ethylsulfanyl]ethyl]-1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[2-[2-[2-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]ethoxy]ethoxy]ethyl]pyridin-1-ium-3-carboxamide;1-[2-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylanilino]-2-oxoethyl]-N-[6-[[3-[3-[[4-(2-formylhydrazinyl)phenyl]sulfamoyl]-2,6-dimethylphenyl]phenyl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide;molecular nitrogen is sourced from PubChem (CID 91354223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).