N-[2-[2-[2-[acetyl(ethenyl)amino]ethoxy]ethoxy]ethyl]-N-ethenylacetamide;1-[4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione;bis(1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione);1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione;1-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]propyl]pyrrole-2,5-dione;N-[3-(ethenylsulfonylamino)-2-hydroxypropyl]ethenesulfonamide;N-[2-[2-(3-ethenylsulfonylpropoxy)ethoxy]ethyl]ethenesulfonamide

C99H133N15O44S4 — CID 161202477

IUPACN-[2-[2-[2-[acetyl(ethenyl)amino]ethoxy]ethoxy]ethyl]-N-ethenylacetamide;1-[4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione;bis(1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione);1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione;1-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]propyl]pyrrole-2,5-dione;N-[3-(ethenylsulfonylamino)-2-hydroxypropyl]ethenesulfonamide;N-[2-[2-(3-ethenylsulfonylpropoxy)ethoxy]ethyl]ethenesulfonamide
SMILESC=CN(CCOCCOCCN(C=C)C(C)=O)C(C)=O.C=CS(=O)(=O)CCCOCCOCCNS(=O)(=O)C=C.C=CS(=O)(=O)NCC(O)CNS(=O)(=O)C=C.O=C1C=CC(=O)N1CC(O)C(O)CN1C(=O)C=CC1=O.O=C1C=CC(=O)N1CC(O)CN1C(=O)C=CC1=O.O=C1C=CC(=O)N1CCCOCCOCCCN1C(=O)C=CC1=O.O=C1C=CC(=O)N1CCOCCOCCN1C(=O)C=CC1=O.O=C1C=CC(=O)N1CCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C16H20N2O6.2C14H16N2O6.C14H24N2O4.C12H12N2O6.C11H10N2O5.C11H21NO6S2.C7H14N2O5S2/c19-13-3-4-14(20)17(13)7-1-9-23-11-12-24-10-2-8-18-15(21)5-6-16(18)22;2*17-11-1-2-12(18)15(11)5-7-21-9-10-22-8-6-16-13(19)3-4-14(16)20;1-5-15(13(3)17)7-9-19-11-12-20-10-8-16(6-2)14(4)18;15-7(5-13-9(17)1-2-10(13)18)8(16)6-14-11(19)3-4-12(14)20;14-7(5-12-8(15)1-2-9(12)16)6-13-10(17)3-4-11(13)18;1-3-19(13,14)11-5-7-17-9-10-18-8-6-12-20(15,16)4-2;1-3-15(11,12)8-5-7(10)6-9-16(13,14)4-2/h3-6H,1-2,7-12H2;2*1-4H,5-10H2;5-6H,1-2,7-12H2,3-4H3;1-4,7-8,15-16H,5-6H2;1-4,7,14H,5-6H2;3-4,12H,1-2,5-11H2;3-4,7-10H,1-2,5-6H2
InChIKeyUVDYELDWGBUWOO-UHFFFAOYSA-N
MW2365.48 g/mol
LogP-7.35
Rot. Bonds70

About N-[2-[2-[2-[acetyl(ethenyl)amino]ethoxy]ethoxy]ethyl]-N-ethenylacetamide;1-[4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione;bis(1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione);1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione;1-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]propyl]pyrrole-2,5-dione;N-[3-(ethenylsulfonylamino)-2-hydroxypropyl]ethenesulfonamide;N-[2-[2-(3-ethenylsulfonylpropoxy)ethoxy]ethyl]ethenesulfonamide

N-[2-[2-[2-[acetyl(ethenyl)amino]ethoxy]ethoxy]ethyl]-N-ethenylacetamide;1-[4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione;bis(1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione);1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione;1-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]propyl]pyrrole-2,5-dione;N-[3-(ethenylsulfonylamino)-2-hydroxypropyl]ethenesulfonamide;N-[2-[2-(3-ethenylsulfonylpropoxy)ethoxy]ethyl]ethenesulfonamide (PubChem CID 161202477) has the molecular formula C99H133N15O44S4 and a molecular weight of 2365.48 g/mol. Its IUPAC name is N-[2-[2-[2-[acetyl(ethenyl)amino]ethoxy]ethoxy]ethyl]-N-ethenylacetamide;1-[4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione;bis(1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione);1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione;1-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]propyl]pyrrole-2,5-dione;N-[3-(ethenylsulfonylamino)-2-hydroxypropyl]ethenesulfonamide;N-[2-[2-(3-ethenylsulfonylpropoxy)ethoxy]ethyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[2-[acetyl(ethenyl)amino]ethoxy]ethoxy]ethyl]-N-ethenylacetamide;1-[4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione;bis(1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione);1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione;1-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]propyl]pyrrole-2,5-dione;N-[3-(ethenylsulfonylamino)-2-hydroxypropyl]ethenesulfonamide;N-[2-[2-(3-ethenylsulfonylpropoxy)ethoxy]ethyl]ethenesulfonamide
PubChem CID161202477
Molecular FormulaC99H133N15O44S4
Molecular Weight2365.48 g/mol
Exact Mass2363.75
IUPAC NameN-[2-[2-[2-[acetyl(ethenyl)amino]ethoxy]ethoxy]ethyl]-N-ethenylacetamide;1-[4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione;bis(1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione);1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione;1-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]propyl]pyrrole-2,5-dione;N-[3-(ethenylsulfonylamino)-2-hydroxypropyl]ethenesulfonamide;N-[2-[2-(3-ethenylsulfonylpropoxy)ethoxy]ethyl]ethenesulfonamide
SMILESC=CN(CCOCCOCCN(C=C)C(C)=O)C(C)=O.C=CS(=O)(=O)CCCOCCOCCNS(=O)(=O)C=C.C=CS(=O)(=O)NCC(O)CNS(=O)(=O)C=C.O=C1C=CC(=O)N1CC(O)C(O)CN1C(=O)C=CC1=O.O=C1C=CC(=O)N1CC(O)CN1C(=O)C=CC1=O.O=C1C=CC(=O)N1CCCOCCOCCCN1C(=O)C=CC1=O.O=C1C=CC(=O)N1CCOCCOCCN1C(=O)C=CC1=O.O=C1C=CC(=O)N1CCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C16H20N2O6.2C14H16N2O6.C14H24N2O4.C12H12N2O6.C11H10N2O5.C11H21NO6S2.C7H14N2O5S2/c19-13-3-4-14(20)17(13)7-1-9-23-11-12-24-10-2-8-18-15(21)5-6-16(18)22;2*17-11-1-2-12(18)15(11)5-7-21-9-10-22-8-6-16-13(19)3-4-14(16)20;1-5-15(13(3)17)7-9-19-11-12-20-10-8-16(6-2)14(4)18;15-7(5-13-9(17)1-2-10(13)18)8(16)6-14-11(19)3-4-12(14)20;14-7(5-12-8(15)1-2-9(12)16)6-13-10(17)3-4-11(13)18;1-3-19(13,14)11-5-7-17-9-10-18-8-6-12-20(15,16)4-2;1-3-15(11,12)8-5-7(10)6-9-16(13,14)4-2/h3-6H,1-2,7-12H2;2*1-4H,5-10H2;5-6H,1-2,7-12H2,3-4H3;1-4,7-8,15-16H,5-6H2;1-4,7,14H,5-6H2;3-4,12H,1-2,5-11H2;3-4,7-10H,1-2,5-6H2
InChIKeyUVDYELDWGBUWOO-UHFFFAOYSA-N
XLogP-7.35
TPSA760.29 Ų
H-Bond Donors7
H-Bond Acceptors44
Rotatable Bonds70
Heavy Atoms162
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002365.48
LogP ≤ 5-7.35
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze N-[2-[2-[2-[acetyl(ethenyl)amino]ethoxy]ethoxy]ethyl]-N-ethenylacetamide;1-[4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione;bis(1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione);1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione;1-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]propyl]pyrrole-2,5-dione;N-[3-(ethenylsulfonylamino)-2-hydroxypropyl]ethenesulfonamide;N-[2-[2-(3-ethenylsulfonylpropoxy)ethoxy]ethyl]ethenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[acetyl(ethenyl)amino]ethoxy]ethoxy]ethyl]-N-ethenylacetamide;1-[4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione;bis(1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione);1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione;1-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]propyl]pyrrole-2,5-dione;N-[3-(ethenylsulfonylamino)-2-hydroxypropyl]ethenesulfonamide;N-[2-[2-(3-ethenylsulfonylpropoxy)ethoxy]ethyl]ethenesulfonamide?
The IUPAC name of N-[2-[2-[2-[acetyl(ethenyl)amino]ethoxy]ethoxy]ethyl]-N-ethenylacetamide;1-[4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione;bis(1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione);1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione;1-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]propyl]pyrrole-2,5-dione;N-[3-(ethenylsulfonylamino)-2-hydroxypropyl]ethenesulfonamide;N-[2-[2-(3-ethenylsulfonylpropoxy)ethoxy]ethyl]ethenesulfonamide (CID 161202477) is N-[2-[2-[2-[acetyl(ethenyl)amino]ethoxy]ethoxy]ethyl]-N-ethenylacetamide;1-[4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione;bis(1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione);1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione;1-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]propyl]pyrrole-2,5-dione;N-[3-(ethenylsulfonylamino)-2-hydroxypropyl]ethenesulfonamide;N-[2-[2-(3-ethenylsulfonylpropoxy)ethoxy]ethyl]ethenesulfonamide.
What is the SMILES notation for N-[2-[2-[2-[acetyl(ethenyl)amino]ethoxy]ethoxy]ethyl]-N-ethenylacetamide;1-[4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione;bis(1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione);1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione;1-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]propyl]pyrrole-2,5-dione;N-[3-(ethenylsulfonylamino)-2-hydroxypropyl]ethenesulfonamide;N-[2-[2-(3-ethenylsulfonylpropoxy)ethoxy]ethyl]ethenesulfonamide?
The canonical SMILES for N-[2-[2-[2-[acetyl(ethenyl)amino]ethoxy]ethoxy]ethyl]-N-ethenylacetamide;1-[4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione;bis(1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione);1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione;1-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]propyl]pyrrole-2,5-dione;N-[3-(ethenylsulfonylamino)-2-hydroxypropyl]ethenesulfonamide;N-[2-[2-(3-ethenylsulfonylpropoxy)ethoxy]ethyl]ethenesulfonamide is C=CN(CCOCCOCCN(C=C)C(C)=O)C(C)=O.C=CS(=O)(=O)CCCOCCOCCNS(=O)(=O)C=C.C=CS(=O)(=O)NCC(O)CNS(=O)(=O)C=C.O=C1C=CC(=O)N1CC(O)C(O)CN1C(=O)C=CC1=O.O=C1C=CC(=O)N1CC(O)CN1C(=O)C=CC1=O.O=C1C=CC(=O)N1CCCOCCOCCCN1C(=O)C=CC1=O.O=C1C=CC(=O)N1CCOCCOCCN1C(=O)C=CC1=O.O=C1C=CC(=O)N1CCOCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-[2-[2-[acetyl(ethenyl)amino]ethoxy]ethoxy]ethyl]-N-ethenylacetamide;1-[4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione;bis(1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione);1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione;1-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]propyl]pyrrole-2,5-dione;N-[3-(ethenylsulfonylamino)-2-hydroxypropyl]ethenesulfonamide;N-[2-[2-(3-ethenylsulfonylpropoxy)ethoxy]ethyl]ethenesulfonamide?
The InChIKey is UVDYELDWGBUWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6.2C14H16N2O6.C14H24N2O4.C12H12N2O6.C11H10N2O5.C11H21NO6S2.C7H14N2O5S2/c19-13-3-4-14(20)17(13)7-1-9-23-11-12-24-10-2-8-18-15(21)5-6-16(18)22;2*17-11-1-2-12(18)15(11)5-7-21-9-10-22-8-6-16-13(19)3-4-14(16)20;1-5-15(13(3)17)7-9-19-11-12-20-10-8-16(6-2)14(4)18;15-7(5-13-9(17)1-2-10(13)18)8(16)6-14-11(19)3-4-12(14)20;14-7(5-12-8(15)1-2-9(12)16)6-13-10(17)3-4-11(13)18;1-3-19(13,14)11-5-7-17-9-10-18-8-6-12-20(15,16)4-2;1-3-15(11,12)8-5-7(10)6-9-16(13,14)4-2/h3-6H,1-2,7-12H2;2*1-4H,5-10H2;5-6H,1-2,7-12H2,3-4H3;1-4,7-8,15-16H,5-6H2;1-4,7,14H,5-6H2;3-4,12H,1-2,5-11H2;3-4,7-10H,1-2,5-6H2.
What are the key properties of N-[2-[2-[2-[acetyl(ethenyl)amino]ethoxy]ethoxy]ethyl]-N-ethenylacetamide;1-[4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione;bis(1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione);1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione;1-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]propyl]pyrrole-2,5-dione;N-[3-(ethenylsulfonylamino)-2-hydroxypropyl]ethenesulfonamide;N-[2-[2-(3-ethenylsulfonylpropoxy)ethoxy]ethyl]ethenesulfonamide?
N-[2-[2-[2-[acetyl(ethenyl)amino]ethoxy]ethoxy]ethyl]-N-ethenylacetamide;1-[4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione;bis(1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione);1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione;1-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]propyl]pyrrole-2,5-dione;N-[3-(ethenylsulfonylamino)-2-hydroxypropyl]ethenesulfonamide;N-[2-[2-(3-ethenylsulfonylpropoxy)ethoxy]ethyl]ethenesulfonamide has a molecular weight of 2365.48 g/mol, XLogP of -7.35, 70 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[acetyl(ethenyl)amino]ethoxy]ethoxy]ethyl]-N-ethenylacetamide;1-[4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione;bis(1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione);1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione;1-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propoxy]ethoxy]propyl]pyrrole-2,5-dione;N-[3-(ethenylsulfonylamino)-2-hydroxypropyl]ethenesulfonamide;N-[2-[2-(3-ethenylsulfonylpropoxy)ethoxy]ethyl]ethenesulfonamide is sourced from PubChem (CID 161202477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).