N-(3-aminopropyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-[3-(1H-benzimidazol-2-ylamino)propyl]-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzenesulfonamide;N-benzyl-4-[(benzylamino)methyl]-N-[3-(pyrimidin-2-ylamino)propyl]benzenesulfonamide;1-[[4-(dibenzylsulfamoyl)phenyl]methyl]-1-[2-(diethylamino)ethyl]-3-(1-naphthalen-1-ylethyl)urea

C153H169N23O11S5 — CID 158559759

IUPACN-(3-aminopropyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-[3-(1H-benzimidazol-2-ylamino)propyl]-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzenesulfonamide;N-benzyl-4-[(benzylamino)methyl]-N-[3-(pyrimidin-2-ylamino)propyl]benzenesulfonamide;1-[[4-(dibenzylsulfamoyl)phenyl]methyl]-1-[2-(diethylamino)ethyl]-3-(1-naphthalen-1-ylethyl)urea
SMILESCCN(CC)CCN(Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1)C(=O)NC(C)c1cccc2ccccc12.NCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CNCc2ccccc2)cc1.O=S(=O)(c1ccc(CNCc2ccccc2)cc1)N(CCCNc1nc2ccccc2[nH]1)Cc1ccccc1.O=S(=O)(c1ccc(CNCc2ccccc2)cc1)N(CCCNc1ncccn1)Cc1ccccc1.O=S(=O)(c1ccc(CNCc2ccccn2)cc1)N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C40H46N4O3S.C31H33N5O2S.C30H30N6O2S.C28H31N5O2S.C24H29N3O2S/c1-4-42(5-2)27-28-43(40(45)41-32(3)38-22-14-20-36-19-12-13-21-39(36)38)29-35-23-25-37(26-24-35)48(46,47)44(30-33-15-8-6-9-16-33)31-34-17-10-7-11-18-34;37-39(38,28-18-16-26(17-19-28)23-32-22-25-10-3-1-4-11-25)36(24-27-12-5-2-6-13-27)21-9-20-33-31-34-29-14-7-8-15-30(29)35-31;37-39(38,25-15-13-22(14-16-25)19-31-20-24-9-3-4-17-32-24)36(21-29-34-26-10-1-2-11-27(26)35-29)28-12-5-7-23-8-6-18-33-30(23)28;34-36(35,27-15-13-25(14-16-27)22-29-21-24-9-3-1-4-10-24)33(23-26-11-5-2-6-12-26)20-8-19-32-28-30-17-7-18-31-28;25-16-7-17-27(20-23-10-5-2-6-11-23)30(28,29)24-14-12-22(13-15-24)19-26-18-21-8-3-1-4-9-21/h6-26,32H,4-5,27-31H2,1-3H3,(H,41,45);1-8,10-19,32H,9,20-24H2,(H2,33,34,35);1-4,6,8-11,13-18,28,31H,5,7,12,19-21H2,(H,34,35);1-7,9-18,29H,8,19-23H2,(H,30,31,32);1-6,8-15,26H,7,16-20,25H2
InChIKeyHQSRYSOWJSLLOR-UHFFFAOYSA-N
MW2666.52 g/mol
LogP26.28
Rot. Bonds61

About N-(3-aminopropyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-[3-(1H-benzimidazol-2-ylamino)propyl]-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzenesulfonamide;N-benzyl-4-[(benzylamino)methyl]-N-[3-(pyrimidin-2-ylamino)propyl]benzenesulfonamide;1-[[4-(dibenzylsulfamoyl)phenyl]methyl]-1-[2-(diethylamino)ethyl]-3-(1-naphthalen-1-ylethyl)urea

N-(3-aminopropyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-[3-(1H-benzimidazol-2-ylamino)propyl]-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzenesulfonamide;N-benzyl-4-[(benzylamino)methyl]-N-[3-(pyrimidin-2-ylamino)propyl]benzenesulfonamide;1-[[4-(dibenzylsulfamoyl)phenyl]methyl]-1-[2-(diethylamino)ethyl]-3-(1-naphthalen-1-ylethyl)urea (PubChem CID 158559759) has the molecular formula C153H169N23O11S5 and a molecular weight of 2666.52 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-[3-(1H-benzimidazol-2-ylamino)propyl]-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzenesulfonamide;N-benzyl-4-[(benzylamino)methyl]-N-[3-(pyrimidin-2-ylamino)propyl]benzenesulfonamide;1-[[4-(dibenzylsulfamoyl)phenyl]methyl]-1-[2-(diethylamino)ethyl]-3-(1-naphthalen-1-ylethyl)urea.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-[3-(1H-benzimidazol-2-ylamino)propyl]-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzenesulfonamide;N-benzyl-4-[(benzylamino)methyl]-N-[3-(pyrimidin-2-ylamino)propyl]benzenesulfonamide;1-[[4-(dibenzylsulfamoyl)phenyl]methyl]-1-[2-(diethylamino)ethyl]-3-(1-naphthalen-1-ylethyl)urea
PubChem CID158559759
Molecular FormulaC153H169N23O11S5
Molecular Weight2666.52 g/mol
Exact Mass2664.20
IUPAC NameN-(3-aminopropyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-[3-(1H-benzimidazol-2-ylamino)propyl]-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzenesulfonamide;N-benzyl-4-[(benzylamino)methyl]-N-[3-(pyrimidin-2-ylamino)propyl]benzenesulfonamide;1-[[4-(dibenzylsulfamoyl)phenyl]methyl]-1-[2-(diethylamino)ethyl]-3-(1-naphthalen-1-ylethyl)urea
SMILESCCN(CC)CCN(Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1)C(=O)NC(C)c1cccc2ccccc12.NCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CNCc2ccccc2)cc1.O=S(=O)(c1ccc(CNCc2ccccc2)cc1)N(CCCNc1nc2ccccc2[nH]1)Cc1ccccc1.O=S(=O)(c1ccc(CNCc2ccccc2)cc1)N(CCCNc1ncccn1)Cc1ccccc1.O=S(=O)(c1ccc(CNCc2ccccn2)cc1)N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C40H46N4O3S.C31H33N5O2S.C30H30N6O2S.C28H31N5O2S.C24H29N3O2S/c1-4-42(5-2)27-28-43(40(45)41-32(3)38-22-14-20-36-19-12-13-21-39(36)38)29-35-23-25-37(26-24-35)48(46,47)44(30-33-15-8-6-9-16-33)31-34-17-10-7-11-18-34;37-39(38,28-18-16-26(17-19-28)23-32-22-25-10-3-1-4-11-25)36(24-27-12-5-2-6-13-27)21-9-20-33-31-34-29-14-7-8-15-30(29)35-31;37-39(38,25-15-13-22(14-16-25)19-31-20-24-9-3-4-17-32-24)36(21-29-34-26-10-1-2-11-27(26)35-29)28-12-5-7-23-8-6-18-33-30(23)28;34-36(35,27-15-13-25(14-16-27)22-29-21-24-9-3-1-4-10-24)33(23-26-11-5-2-6-12-26)20-8-19-32-28-30-17-7-18-31-28;25-16-7-17-27(20-23-10-5-2-6-11-23)30(28,29)24-14-12-22(13-15-24)19-26-18-21-8-3-1-4-9-21/h6-26,32H,4-5,27-31H2,1-3H3,(H,41,45);1-8,10-19,32H,9,20-24H2,(H2,33,34,35);1-4,6,8-11,13-18,28,31H,5,7,12,19-21H2,(H,34,35);1-7,9-18,29H,8,19-23H2,(H,30,31,32);1-6,8-15,26H,7,16-20,25H2
InChIKeyHQSRYSOWJSLLOR-UHFFFAOYSA-N
XLogP26.28
TPSA429.60 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds61
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002666.52
LogP ≤ 526.28
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-[3-(1H-benzimidazol-2-ylamino)propyl]-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzenesulfonamide;N-benzyl-4-[(benzylamino)methyl]-N-[3-(pyrimidin-2-ylamino)propyl]benzenesulfonamide;1-[[4-(dibenzylsulfamoyl)phenyl]methyl]-1-[2-(diethylamino)ethyl]-3-(1-naphthalen-1-ylethyl)urea 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-(3-aminopropyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-[3-(1H-benzimidazol-2-ylamino)propyl]-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzenesulfonamide;N-benzyl-4-[(benzylamino)methyl]-N-[3-(pyrimidin-2-ylamino)propyl]benzenesulfonamide;1-[[4-(dibenzylsulfamoyl)phenyl]methyl]-1-[2-(diethylamino)ethyl]-3-(1-naphthalen-1-ylethyl)urea?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-[3-(1H-benzimidazol-2-ylamino)propyl]-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzenesulfonamide;N-benzyl-4-[(benzylamino)methyl]-N-[3-(pyrimidin-2-ylamino)propyl]benzenesulfonamide;1-[[4-(dibenzylsulfamoyl)phenyl]methyl]-1-[2-(diethylamino)ethyl]-3-(1-naphthalen-1-ylethyl)urea (CID 158559759) is N-(3-aminopropyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-[3-(1H-benzimidazol-2-ylamino)propyl]-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzenesulfonamide;N-benzyl-4-[(benzylamino)methyl]-N-[3-(pyrimidin-2-ylamino)propyl]benzenesulfonamide;1-[[4-(dibenzylsulfamoyl)phenyl]methyl]-1-[2-(diethylamino)ethyl]-3-(1-naphthalen-1-ylethyl)urea.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-[3-(1H-benzimidazol-2-ylamino)propyl]-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzenesulfonamide;N-benzyl-4-[(benzylamino)methyl]-N-[3-(pyrimidin-2-ylamino)propyl]benzenesulfonamide;1-[[4-(dibenzylsulfamoyl)phenyl]methyl]-1-[2-(diethylamino)ethyl]-3-(1-naphthalen-1-ylethyl)urea?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-[3-(1H-benzimidazol-2-ylamino)propyl]-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzenesulfonamide;N-benzyl-4-[(benzylamino)methyl]-N-[3-(pyrimidin-2-ylamino)propyl]benzenesulfonamide;1-[[4-(dibenzylsulfamoyl)phenyl]methyl]-1-[2-(diethylamino)ethyl]-3-(1-naphthalen-1-ylethyl)urea is CCN(CC)CCN(Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1)C(=O)NC(C)c1cccc2ccccc12.NCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CNCc2ccccc2)cc1.O=S(=O)(c1ccc(CNCc2ccccc2)cc1)N(CCCNc1nc2ccccc2[nH]1)Cc1ccccc1.O=S(=O)(c1ccc(CNCc2ccccc2)cc1)N(CCCNc1ncccn1)Cc1ccccc1.O=S(=O)(c1ccc(CNCc2ccccn2)cc1)N(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-[3-(1H-benzimidazol-2-ylamino)propyl]-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzenesulfonamide;N-benzyl-4-[(benzylamino)methyl]-N-[3-(pyrimidin-2-ylamino)propyl]benzenesulfonamide;1-[[4-(dibenzylsulfamoyl)phenyl]methyl]-1-[2-(diethylamino)ethyl]-3-(1-naphthalen-1-ylethyl)urea?
The InChIKey is HQSRYSOWJSLLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46N4O3S.C31H33N5O2S.C30H30N6O2S.C28H31N5O2S.C24H29N3O2S/c1-4-42(5-2)27-28-43(40(45)41-32(3)38-22-14-20-36-19-12-13-21-39(36)38)29-35-23-25-37(26-24-35)48(46,47)44(30-33-15-8-6-9-16-33)31-34-17-10-7-11-18-34;37-39(38,28-18-16-26(17-19-28)23-32-22-25-10-3-1-4-11-25)36(24-27-12-5-2-6-13-27)21-9-20-33-31-34-29-14-7-8-15-30(29)35-31;37-39(38,25-15-13-22(14-16-25)19-31-20-24-9-3-4-17-32-24)36(21-29-34-26-10-1-2-11-27(26)35-29)28-12-5-7-23-8-6-18-33-30(23)28;34-36(35,27-15-13-25(14-16-27)22-29-21-24-9-3-1-4-10-24)33(23-26-11-5-2-6-12-26)20-8-19-32-28-30-17-7-18-31-28;25-16-7-17-27(20-23-10-5-2-6-11-23)30(28,29)24-14-12-22(13-15-24)19-26-18-21-8-3-1-4-9-21/h6-26,32H,4-5,27-31H2,1-3H3,(H,41,45);1-8,10-19,32H,9,20-24H2,(H2,33,34,35);1-4,6,8-11,13-18,28,31H,5,7,12,19-21H2,(H,34,35);1-7,9-18,29H,8,19-23H2,(H,30,31,32);1-6,8-15,26H,7,16-20,25H2.
What are the key properties of N-(3-aminopropyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-[3-(1H-benzimidazol-2-ylamino)propyl]-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzenesulfonamide;N-benzyl-4-[(benzylamino)methyl]-N-[3-(pyrimidin-2-ylamino)propyl]benzenesulfonamide;1-[[4-(dibenzylsulfamoyl)phenyl]methyl]-1-[2-(diethylamino)ethyl]-3-(1-naphthalen-1-ylethyl)urea?
N-(3-aminopropyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-[3-(1H-benzimidazol-2-ylamino)propyl]-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzenesulfonamide;N-benzyl-4-[(benzylamino)methyl]-N-[3-(pyrimidin-2-ylamino)propyl]benzenesulfonamide;1-[[4-(dibenzylsulfamoyl)phenyl]methyl]-1-[2-(diethylamino)ethyl]-3-(1-naphthalen-1-ylethyl)urea has a molecular weight of 2666.52 g/mol, XLogP of 26.28, 61 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-[3-(1H-benzimidazol-2-ylamino)propyl]-N-benzyl-4-[(benzylamino)methyl]benzenesulfonamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzenesulfonamide;N-benzyl-4-[(benzylamino)methyl]-N-[3-(pyrimidin-2-ylamino)propyl]benzenesulfonamide;1-[[4-(dibenzylsulfamoyl)phenyl]methyl]-1-[2-(diethylamino)ethyl]-3-(1-naphthalen-1-ylethyl)urea is sourced from PubChem (CID 158559759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).