N-[2,5-dichloro-4-[3-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-3-oxobutanamide;N-[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[3-(diethylamino)propylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide

C122H196Cl2N18O20S5 — CID 123571074

IUPACN-[2,5-dichloro-4-[3-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-3-oxobutanamide;N-[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[3-(diethylamino)propylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ccc(S(=O)(=O)NCCN(C)C)cc1.CCCCCCCCCCCCCCCCCCN(CCN(CC)CC)S(=O)(=O)c1ccc(/N=N/C(C(C)=O)C(=O)Cc2cc(Cl)c(NC(=O)C(/N=N/c3ccc(S(=O)(=O)N(CCCCCCCCCCCCCCCCCC)CCN(CC)CC)cc3)C(C)=O)cc2Cl)cc1.CCN(CC)CCCNS(=O)(=O)c1ccc(NC(=O)CC(C)=O)cc1.CCN(CC)CCNS(=O)(=O)c1ccc(NC(=O)CC(C)=O)cc1
InChIInChI=1S/C75H123Cl2N9O8S2.C17H27N3O4S.C16H25N3O4S.C14H21N3O4S/c1-9-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-53-85(57-55-83(11-3)12-4)95(91,92)67-49-45-65(46-50-67)79-81-73(62(7)87)72(89)60-64-59-70(77)71(61-69(64)76)78-75(90)74(63(8)88)82-80-66-47-51-68(52-48-66)96(93,94)86(58-56-84(13-5)14-6)54-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-10-2;1-4-20(5-2)12-6-11-18-25(23,24)16-9-7-15(8-10-16)19-17(22)13-14(3)21;1-4-19(5-2)11-10-17-24(22,23)15-8-6-14(7-9-15)18-16(21)12-13(3)20;1-11(18)10-14(19)16-12-4-6-13(7-5-12)22(20,21)15-8-9-17(2)3/h45-52,59,61,73-74H,9-44,53-58,60H2,1-8H3,(H,78,90);7-10,18H,4-6,11-13H2,1-3H3,(H,19,22);6-9,17H,4-5,10-12H2,1-3H3,(H,18,21);4-7,15H,8-10H2,1-3H3,(H,16,19)/b81-79+,82-80+;;;
InChIKeyQNIDAQROGQCICD-IPMSIRNASA-N
MW2466.26 g/mol
LogP23.00
Rot. Bonds88

About N-[2,5-dichloro-4-[3-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-3-oxobutanamide;N-[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[3-(diethylamino)propylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide

N-[2,5-dichloro-4-[3-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-3-oxobutanamide;N-[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[3-(diethylamino)propylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide (PubChem CID 123571074) has the molecular formula C122H196Cl2N18O20S5 and a molecular weight of 2466.26 g/mol. Its IUPAC name is N-[2,5-dichloro-4-[3-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-3-oxobutanamide;N-[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[3-(diethylamino)propylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[2,5-dichloro-4-[3-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-3-oxobutanamide;N-[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[3-(diethylamino)propylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide
PubChem CID123571074
Molecular FormulaC122H196Cl2N18O20S5
Molecular Weight2466.26 g/mol
Exact Mass2463.29
IUPAC NameN-[2,5-dichloro-4-[3-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-3-oxobutanamide;N-[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[3-(diethylamino)propylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ccc(S(=O)(=O)NCCN(C)C)cc1.CCCCCCCCCCCCCCCCCCN(CCN(CC)CC)S(=O)(=O)c1ccc(/N=N/C(C(C)=O)C(=O)Cc2cc(Cl)c(NC(=O)C(/N=N/c3ccc(S(=O)(=O)N(CCCCCCCCCCCCCCCCCC)CCN(CC)CC)cc3)C(C)=O)cc2Cl)cc1.CCN(CC)CCCNS(=O)(=O)c1ccc(NC(=O)CC(C)=O)cc1.CCN(CC)CCNS(=O)(=O)c1ccc(NC(=O)CC(C)=O)cc1
InChIInChI=1S/C75H123Cl2N9O8S2.C17H27N3O4S.C16H25N3O4S.C14H21N3O4S/c1-9-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-53-85(57-55-83(11-3)12-4)95(91,92)67-49-45-65(46-50-67)79-81-73(62(7)87)72(89)60-64-59-70(77)71(61-69(64)76)78-75(90)74(63(8)88)82-80-66-47-51-68(52-48-66)96(93,94)86(58-56-84(13-5)14-6)54-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-10-2;1-4-20(5-2)12-6-11-18-25(23,24)16-9-7-15(8-10-16)19-17(22)13-14(3)21;1-4-19(5-2)11-10-17-24(22,23)15-8-6-14(7-9-15)18-16(21)12-13(3)20;1-11(18)10-14(19)16-12-4-6-13(7-5-12)22(20,21)15-8-9-17(2)3/h45-52,59,61,73-74H,9-44,53-58,60H2,1-8H3,(H,78,90);7-10,18H,4-6,11-13H2,1-3H3,(H,19,22);6-9,17H,4-5,10-12H2,1-3H3,(H,18,21);4-7,15H,8-10H2,1-3H3,(H,16,19)/b81-79+,82-80+;;;
InChIKeyQNIDAQROGQCICD-IPMSIRNASA-N
XLogP23.00
TPSA497.73 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds88
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002466.26
LogP ≤ 523.00
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-[2,5-dichloro-4-[3-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-3-oxobutanamide;N-[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[3-(diethylamino)propylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(diethylamino)propyl]-7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonamide;N-[3-(diethylamino)propyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzamide
CID 162078835
2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 4143935
4-amino-N-[3-[decyl-[3-(diethylamino)propyl]amino]propyl]benzenesulfonamide
CID 154196449
1-N,3-N-bis[2-(diethylamino)ethyl]-5-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]butan-2-yl]diazenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[3-(diethylamino)propyl]-5-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]butan-2-yl]diazenyl]benzene-1,3-dicarboxamide;5-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]-1-N,3-N-bis[3-(diethylamino)propyl]benzene-1,3-dicarboxamide;4-[[1-[4-chloro-5-(hydroxymethyl)-2-methoxyanilino]-1,3-dioxobutan-2-yl]diazenyl]-N-[3-(dimethylamino)propyl]benzamide;N-[3-(diethylamino)propyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]butan-2-yl]diazenyl]benzamide
CID 159312447
2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 3354024
(2S)-N-(4-chlorophenyl)-3-oxo-2-[(4-sulfamoylphenyl)diazenyl]butanamide
CID 98517907
N-[4-[butyl(ethyl)sulfamoyl]phenyl]acetamide
CID 2164655
(2R)-N-[2-chloro-4-[3-(diethylamino)propylsulfamoyl]phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 10813808
3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106545043
N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide
CID 17080128
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 24640292
2-[(4-acetamidophenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
CID 142683353

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dichloro-4-[3-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-3-oxobutanamide;N-[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[3-(diethylamino)propylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide?
The IUPAC name of N-[2,5-dichloro-4-[3-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-3-oxobutanamide;N-[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[3-(diethylamino)propylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide (CID 123571074) is N-[2,5-dichloro-4-[3-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-3-oxobutanamide;N-[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[3-(diethylamino)propylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide.
What is the SMILES notation for N-[2,5-dichloro-4-[3-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-3-oxobutanamide;N-[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[3-(diethylamino)propylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide?
The canonical SMILES for N-[2,5-dichloro-4-[3-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-3-oxobutanamide;N-[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[3-(diethylamino)propylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide is CC(=O)CC(=O)Nc1ccc(S(=O)(=O)NCCN(C)C)cc1.CCCCCCCCCCCCCCCCCCN(CCN(CC)CC)S(=O)(=O)c1ccc(/N=N/C(C(C)=O)C(=O)Cc2cc(Cl)c(NC(=O)C(/N=N/c3ccc(S(=O)(=O)N(CCCCCCCCCCCCCCCCCC)CCN(CC)CC)cc3)C(C)=O)cc2Cl)cc1.CCN(CC)CCCNS(=O)(=O)c1ccc(NC(=O)CC(C)=O)cc1.CCN(CC)CCNS(=O)(=O)c1ccc(NC(=O)CC(C)=O)cc1.
What is the InChIKey of N-[2,5-dichloro-4-[3-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-3-oxobutanamide;N-[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[3-(diethylamino)propylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide?
The InChIKey is QNIDAQROGQCICD-IPMSIRNASA-N. The full InChI is InChI=1S/C75H123Cl2N9O8S2.C17H27N3O4S.C16H25N3O4S.C14H21N3O4S/c1-9-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-53-85(57-55-83(11-3)12-4)95(91,92)67-49-45-65(46-50-67)79-81-73(62(7)87)72(89)60-64-59-70(77)71(61-69(64)76)78-75(90)74(63(8)88)82-80-66-47-51-68(52-48-66)96(93,94)86(58-56-84(13-5)14-6)54-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-10-2;1-4-20(5-2)12-6-11-18-25(23,24)16-9-7-15(8-10-16)19-17(22)13-14(3)21;1-4-19(5-2)11-10-17-24(22,23)15-8-6-14(7-9-15)18-16(21)12-13(3)20;1-11(18)10-14(19)16-12-4-6-13(7-5-12)22(20,21)15-8-9-17(2)3/h45-52,59,61,73-74H,9-44,53-58,60H2,1-8H3,(H,78,90);7-10,18H,4-6,11-13H2,1-3H3,(H,19,22);6-9,17H,4-5,10-12H2,1-3H3,(H,18,21);4-7,15H,8-10H2,1-3H3,(H,16,19)/b81-79+,82-80+;;;.
What are the key properties of N-[2,5-dichloro-4-[3-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-3-oxobutanamide;N-[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[3-(diethylamino)propylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide?
N-[2,5-dichloro-4-[3-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-3-oxobutanamide;N-[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[3-(diethylamino)propylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide has a molecular weight of 2466.26 g/mol, XLogP of 23.00, 88 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dichloro-4-[3-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-2,4-dioxopentyl]phenyl]-2-[[4-[2-(diethylamino)ethyl-octadecylsulfamoyl]phenyl]diazenyl]-3-oxobutanamide;N-[4-[2-(diethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[3-(diethylamino)propylsulfamoyl]phenyl]-3-oxobutanamide;N-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-3-oxobutanamide is sourced from PubChem (CID 123571074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).