(2,5-dioxopyrrolidin-1-yl) 2-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenoxy]acetate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-ethyl-methyl-λ4-sulfanyl]butanoate;ethane

C38H48N4O18S — CID 145408328

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenoxy]acetate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-ethyl-methyl-λ4-sulfanyl]butanoate;ethane
SMILESCC.CCS(C)(CCCC(=O)ON1C(=O)CCC1=O)CCC(=O)ON1C(=O)CCC1=O.O=C(COc1ccc(OCC(=O)ON2C(=O)CCC2=O)cc1)ON1C(=O)CCC1=O
InChIInChI=1S/C18H16N2O10.C18H26N2O8S.C2H6/c21-13-5-6-14(22)19(13)29-17(25)9-27-11-1-2-12(4-3-11)28-10-18(26)30-20-15(23)7-8-16(20)24;1-3-29(2,12-10-18(26)28-20-15(23)8-9-16(20)24)11-4-5-17(25)27-19-13(21)6-7-14(19)22;1-2/h1-4H,5-10H2;3-12H2,1-2H3;1-2H3
InChIKeyRUNKVZLQQSMXGI-UHFFFAOYSA-N
MW880.88 g/mol
LogP1.51
Rot. Bonds18

About (2,5-dioxopyrrolidin-1-yl) 2-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenoxy]acetate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-ethyl-methyl-λ4-sulfanyl]butanoate;ethane

(2,5-dioxopyrrolidin-1-yl) 2-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenoxy]acetate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-ethyl-methyl-λ4-sulfanyl]butanoate;ethane (PubChem CID 145408328) has the molecular formula C38H48N4O18S and a molecular weight of 880.88 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenoxy]acetate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-ethyl-methyl-λ4-sulfanyl]butanoate;ethane.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenoxy]acetate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-ethyl-methyl-λ4-sulfanyl]butanoate;ethane
PubChem CID145408328
Molecular FormulaC38H48N4O18S
Molecular Weight880.88 g/mol
Exact Mass880.27
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenoxy]acetate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-ethyl-methyl-λ4-sulfanyl]butanoate;ethane
SMILESCC.CCS(C)(CCCC(=O)ON1C(=O)CCC1=O)CCC(=O)ON1C(=O)CCC1=O.O=C(COc1ccc(OCC(=O)ON2C(=O)CCC2=O)cc1)ON1C(=O)CCC1=O
InChIInChI=1S/C18H16N2O10.C18H26N2O8S.C2H6/c21-13-5-6-14(22)19(13)29-17(25)9-27-11-1-2-12(4-3-11)28-10-18(26)30-20-15(23)7-8-16(20)24;1-3-29(2,12-10-18(26)28-20-15(23)8-9-16(20)24)11-4-5-17(25)27-19-13(21)6-7-14(19)22;1-2/h1-4H,5-10H2;3-12H2,1-2H3;1-2H3
InChIKeyRUNKVZLQQSMXGI-UHFFFAOYSA-N
XLogP1.51
TPSA273.18 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.88
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 2-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenoxy]acetate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-ethyl-methyl-λ4-sulfanyl]butanoate;ethane 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

(2,5-dioxopyrrolidin-1-yl) 2-(4-formylphenoxy)acetate;ethane
CID 143085911
methyl 3-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenyl]propanoate
CID 155293526
4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid
CID 90296712
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
(2,5-dioxopyrrolidin-1-yl) 4-[4-[[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutoxy]phenyl]-hydroxy-(4-methoxyphenyl)methyl]phenoxy]butanoate
CID 23069524
16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecane-1-sulfonic acid
CID 71468135
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
CID 131750156
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)butanoate;ethane
CID 178100536

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenoxy]acetate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-ethyl-methyl-λ4-sulfanyl]butanoate;ethane?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenoxy]acetate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-ethyl-methyl-λ4-sulfanyl]butanoate;ethane (CID 145408328) is (2,5-dioxopyrrolidin-1-yl) 2-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenoxy]acetate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-ethyl-methyl-λ4-sulfanyl]butanoate;ethane.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenoxy]acetate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-ethyl-methyl-λ4-sulfanyl]butanoate;ethane?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenoxy]acetate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-ethyl-methyl-λ4-sulfanyl]butanoate;ethane is CC.CCS(C)(CCCC(=O)ON1C(=O)CCC1=O)CCC(=O)ON1C(=O)CCC1=O.O=C(COc1ccc(OCC(=O)ON2C(=O)CCC2=O)cc1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenoxy]acetate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-ethyl-methyl-λ4-sulfanyl]butanoate;ethane?
The InChIKey is RUNKVZLQQSMXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O10.C18H26N2O8S.C2H6/c21-13-5-6-14(22)19(13)29-17(25)9-27-11-1-2-12(4-3-11)28-10-18(26)30-20-15(23)7-8-16(20)24;1-3-29(2,12-10-18(26)28-20-15(23)8-9-16(20)24)11-4-5-17(25)27-19-13(21)6-7-14(19)22;1-2/h1-4H,5-10H2;3-12H2,1-2H3;1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenoxy]acetate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-ethyl-methyl-λ4-sulfanyl]butanoate;ethane?
(2,5-dioxopyrrolidin-1-yl) 2-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenoxy]acetate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-ethyl-methyl-λ4-sulfanyl]butanoate;ethane has a molecular weight of 880.88 g/mol, XLogP of 1.51, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]phenoxy]acetate;(2,5-dioxopyrrolidin-1-yl) 4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]-ethyl-methyl-λ4-sulfanyl]butanoate;ethane is sourced from PubChem (CID 145408328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).