4-(4-aminophenyl)-N-ethyl-4-oxobutanamide;4-(4-aminophenyl)-4-oxobutanoic acid;1,6-dibromohexane;N-[4-[4-(ethylamino)-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl-[6-[ethyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]amino]hexyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-ethyl-4-[4-(methanesulfonamido)phenyl]-4-oxobutanamide

C106H169Br2N13O21S5 — CID 158839048

IUPAC4-(4-aminophenyl)-N-ethyl-4-oxobutanamide;4-(4-aminophenyl)-4-oxobutanoic acid;1,6-dibromohexane;N-[4-[4-(ethylamino)-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl-[6-[ethyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]amino]hexyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-ethyl-4-[4-(methanesulfonamido)phenyl]-4-oxobutanamide
SMILESBrCCCCCCBr.CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.CCN(CCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.CCNC(=O)CCC(=O)c1ccc(N)cc1.CCNC(=O)CCC(=O)c1ccc(NS(C)(=O)=O)cc1.CCNCCCC(O)c1ccc(NS(C)(=O)=O)cc1.Nc1ccc(C(=O)CCC(=O)O)cc1
InChIInChI=1S/C32H54N4O6S2.C20H36N2O3S.C13H18N2O4S.C13H22N2O3S.C12H16N2O2.C10H11NO3.C6H12Br2/c1-5-35(25-11-13-31(37)27-15-19-29(20-16-27)33-43(3,39)40)23-9-7-8-10-24-36(6-2)26-12-14-32(38)28-17-21-30(22-18-28)34-44(4,41)42;1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25;1-3-14-13(17)9-8-12(16)10-4-6-11(7-5-10)15-20(2,18)19;1-3-14-10-4-5-13(16)11-6-8-12(9-7-11)15-19(2,17)18;1-2-14-12(16)8-7-11(15)9-3-5-10(13)6-4-9;11-8-3-1-7(2-4-8)9(12)5-6-10(13)14;7-5-3-1-2-4-6-8/h15-22,31-34,37-38H,5-14,23-26H2,1-4H3;12-15,20-21,23H,4-11,16-17H2,1-3H3;4-7,15H,3,8-9H2,1-2H3,(H,14,17);6-9,13-16H,3-5,10H2,1-2H3;3-6H,2,7-8,13H2,1H3,(H,14,16);1-4H,5-6,11H2,(H,13,14);1-6H2
InChIKeyIXZSIUGGDWPNNO-UHFFFAOYSA-N
MW2281.73 g/mol
LogP17.78
Rot. Bonds66

About 4-(4-aminophenyl)-N-ethyl-4-oxobutanamide;4-(4-aminophenyl)-4-oxobutanoic acid;1,6-dibromohexane;N-[4-[4-(ethylamino)-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl-[6-[ethyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]amino]hexyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-ethyl-4-[4-(methanesulfonamido)phenyl]-4-oxobutanamide

4-(4-aminophenyl)-N-ethyl-4-oxobutanamide;4-(4-aminophenyl)-4-oxobutanoic acid;1,6-dibromohexane;N-[4-[4-(ethylamino)-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl-[6-[ethyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]amino]hexyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-ethyl-4-[4-(methanesulfonamido)phenyl]-4-oxobutanamide (PubChem CID 158839048) has the molecular formula C106H169Br2N13O21S5 and a molecular weight of 2281.73 g/mol. Its IUPAC name is 4-(4-aminophenyl)-N-ethyl-4-oxobutanamide;4-(4-aminophenyl)-4-oxobutanoic acid;1,6-dibromohexane;N-[4-[4-(ethylamino)-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl-[6-[ethyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]amino]hexyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-ethyl-4-[4-(methanesulfonamido)phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-aminophenyl)-N-ethyl-4-oxobutanamide;4-(4-aminophenyl)-4-oxobutanoic acid;1,6-dibromohexane;N-[4-[4-(ethylamino)-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl-[6-[ethyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]amino]hexyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-ethyl-4-[4-(methanesulfonamido)phenyl]-4-oxobutanamide
PubChem CID158839048
Molecular FormulaC106H169Br2N13O21S5
Molecular Weight2281.73 g/mol
Exact Mass2277.95
IUPAC Name4-(4-aminophenyl)-N-ethyl-4-oxobutanamide;4-(4-aminophenyl)-4-oxobutanoic acid;1,6-dibromohexane;N-[4-[4-(ethylamino)-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl-[6-[ethyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]amino]hexyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-ethyl-4-[4-(methanesulfonamido)phenyl]-4-oxobutanamide
SMILESBrCCCCCCBr.CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.CCN(CCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.CCNC(=O)CCC(=O)c1ccc(N)cc1.CCNC(=O)CCC(=O)c1ccc(NS(C)(=O)=O)cc1.CCNCCCC(O)c1ccc(NS(C)(=O)=O)cc1.Nc1ccc(C(=O)CCC(=O)O)cc1
InChIInChI=1S/C32H54N4O6S2.C20H36N2O3S.C13H18N2O4S.C13H22N2O3S.C12H16N2O2.C10H11NO3.C6H12Br2/c1-5-35(25-11-13-31(37)27-15-19-29(20-16-27)33-43(3,39)40)23-9-7-8-10-24-36(6-2)26-12-14-32(38)28-17-21-30(22-18-28)34-44(4,41)42;1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25;1-3-14-13(17)9-8-12(16)10-4-6-11(7-5-10)15-20(2,18)19;1-3-14-10-4-5-13(16)11-6-8-12(9-7-11)15-19(2,17)18;1-2-14-12(16)8-7-11(15)9-3-5-10(13)6-4-9;11-8-3-1-7(2-4-8)9(12)5-6-10(13)14;7-5-3-1-2-4-6-8/h15-22,31-34,37-38H,5-14,23-26H2,1-4H3;12-15,20-21,23H,4-11,16-17H2,1-3H3;4-7,15H,3,8-9H2,1-2H3,(H,14,17);6-9,13-16H,3-5,10H2,1-2H3;3-6H,2,7-8,13H2,1H3,(H,14,16);1-4H,5-6,11H2,(H,13,14);1-6H2
InChIKeyIXZSIUGGDWPNNO-UHFFFAOYSA-N
XLogP17.78
TPSA532.27 Ų
H-Bond Donors15
H-Bond Acceptors26
Rotatable Bonds66
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002281.73
LogP ≤ 517.78
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 4-(4-aminophenyl)-N-ethyl-4-oxobutanamide;4-(4-aminophenyl)-4-oxobutanoic acid;1,6-dibromohexane;N-[4-[4-(ethylamino)-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl-[6-[ethyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]amino]hexyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-ethyl-4-[4-(methanesulfonamido)phenyl]-4-oxobutanamide with MolForge

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Related Compounds

1-[4-[decyl(ethyl)amino]-1-hydroxybutyl]-4-(sulfamoylamino)benzene
CID 70411210
N-[4-[(1S)-4-[7,7-difluoroheptyl(ethyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CID 10812091
(4S)-N-ethyl-4-hydroxy-4-[4-(methanesulfonamido)phenyl]butanamide
CID 10685624
N-[4-[4-[heptyl(methyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CID 14891458
(E)-but-2-enedioic acid;N-[4-[4-[ethyl-[(6S)-6-fluoroheptyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CID 70301359
N-(4-heptanoylphenyl)methanesulfonamide
CID 114752118
N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]ethanesulfonamide
CID 70412176
3-[ethyl-[4-(methanesulfonamido)benzoyl]amino]propanoic acid
CID 61008573
N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
CID 111472033
N-[4-[4-[(5-cyclopentyl-3-oxopentyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CID 56994837
N-butyl-N-ethyl-4-(methanesulfonamido)benzamide
CID 35825214
4-(ethylamino)-1-phenylbutan-1-ol
CID 23009158

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-N-ethyl-4-oxobutanamide;4-(4-aminophenyl)-4-oxobutanoic acid;1,6-dibromohexane;N-[4-[4-(ethylamino)-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl-[6-[ethyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]amino]hexyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-ethyl-4-[4-(methanesulfonamido)phenyl]-4-oxobutanamide?
The IUPAC name of 4-(4-aminophenyl)-N-ethyl-4-oxobutanamide;4-(4-aminophenyl)-4-oxobutanoic acid;1,6-dibromohexane;N-[4-[4-(ethylamino)-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl-[6-[ethyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]amino]hexyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-ethyl-4-[4-(methanesulfonamido)phenyl]-4-oxobutanamide (CID 158839048) is 4-(4-aminophenyl)-N-ethyl-4-oxobutanamide;4-(4-aminophenyl)-4-oxobutanoic acid;1,6-dibromohexane;N-[4-[4-(ethylamino)-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl-[6-[ethyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]amino]hexyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-ethyl-4-[4-(methanesulfonamido)phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-aminophenyl)-N-ethyl-4-oxobutanamide;4-(4-aminophenyl)-4-oxobutanoic acid;1,6-dibromohexane;N-[4-[4-(ethylamino)-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl-[6-[ethyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]amino]hexyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-ethyl-4-[4-(methanesulfonamido)phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-aminophenyl)-N-ethyl-4-oxobutanamide;4-(4-aminophenyl)-4-oxobutanoic acid;1,6-dibromohexane;N-[4-[4-(ethylamino)-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl-[6-[ethyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]amino]hexyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-ethyl-4-[4-(methanesulfonamido)phenyl]-4-oxobutanamide is BrCCCCCCBr.CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.CCN(CCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.CCNC(=O)CCC(=O)c1ccc(N)cc1.CCNC(=O)CCC(=O)c1ccc(NS(C)(=O)=O)cc1.CCNCCCC(O)c1ccc(NS(C)(=O)=O)cc1.Nc1ccc(C(=O)CCC(=O)O)cc1.
What is the InChIKey of 4-(4-aminophenyl)-N-ethyl-4-oxobutanamide;4-(4-aminophenyl)-4-oxobutanoic acid;1,6-dibromohexane;N-[4-[4-(ethylamino)-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl-[6-[ethyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]amino]hexyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-ethyl-4-[4-(methanesulfonamido)phenyl]-4-oxobutanamide?
The InChIKey is IXZSIUGGDWPNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54N4O6S2.C20H36N2O3S.C13H18N2O4S.C13H22N2O3S.C12H16N2O2.C10H11NO3.C6H12Br2/c1-5-35(25-11-13-31(37)27-15-19-29(20-16-27)33-43(3,39)40)23-9-7-8-10-24-36(6-2)26-12-14-32(38)28-17-21-30(22-18-28)34-44(4,41)42;1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25;1-3-14-13(17)9-8-12(16)10-4-6-11(7-5-10)15-20(2,18)19;1-3-14-10-4-5-13(16)11-6-8-12(9-7-11)15-19(2,17)18;1-2-14-12(16)8-7-11(15)9-3-5-10(13)6-4-9;11-8-3-1-7(2-4-8)9(12)5-6-10(13)14;7-5-3-1-2-4-6-8/h15-22,31-34,37-38H,5-14,23-26H2,1-4H3;12-15,20-21,23H,4-11,16-17H2,1-3H3;4-7,15H,3,8-9H2,1-2H3,(H,14,17);6-9,13-16H,3-5,10H2,1-2H3;3-6H,2,7-8,13H2,1H3,(H,14,16);1-4H,5-6,11H2,(H,13,14);1-6H2.
What are the key properties of 4-(4-aminophenyl)-N-ethyl-4-oxobutanamide;4-(4-aminophenyl)-4-oxobutanoic acid;1,6-dibromohexane;N-[4-[4-(ethylamino)-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl-[6-[ethyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]amino]hexyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-ethyl-4-[4-(methanesulfonamido)phenyl]-4-oxobutanamide?
4-(4-aminophenyl)-N-ethyl-4-oxobutanamide;4-(4-aminophenyl)-4-oxobutanoic acid;1,6-dibromohexane;N-[4-[4-(ethylamino)-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl-[6-[ethyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]amino]hexyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-ethyl-4-[4-(methanesulfonamido)phenyl]-4-oxobutanamide has a molecular weight of 2281.73 g/mol, XLogP of 17.78, 66 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-N-ethyl-4-oxobutanamide;4-(4-aminophenyl)-4-oxobutanoic acid;1,6-dibromohexane;N-[4-[4-(ethylamino)-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl-[6-[ethyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]amino]hexyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide;N-ethyl-4-[4-(methanesulfonamido)phenyl]-4-oxobutanamide is sourced from PubChem (CID 158839048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).