methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-[2-(4-ethoxysulfinylpiperazin-1-yl)-2-oxoethyl]amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate

C24H43N5O11S — CID 59935061

IUPACmethyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-[2-(4-ethoxysulfinylpiperazin-1-yl)-2-oxoethyl]amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCCOS(=O)N1CCN(C(=O)CN(CCN(CC(=O)OC)CC(=O)OC)CCN(CC(=O)OC)CC(=O)OC)CC1
InChIInChI=1S/C24H43N5O11S/c1-6-40-41(35)29-13-11-28(12-14-29)20(30)15-25(7-9-26(16-21(31)36-2)17-22(32)37-3)8-10-27(18-23(33)38-4)19-24(34)39-5/h6-19H2,1-5H3
InChIKeySVMKJPOAENAZLC-UHFFFAOYSA-N
MW609.70 g/mol
LogP-2.66
Rot. Bonds19

About methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-[2-(4-ethoxysulfinylpiperazin-1-yl)-2-oxoethyl]amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-[2-(4-ethoxysulfinylpiperazin-1-yl)-2-oxoethyl]amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 59935061) has the molecular formula C24H43N5O11S and a molecular weight of 609.70 g/mol. Its IUPAC name is methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-[2-(4-ethoxysulfinylpiperazin-1-yl)-2-oxoethyl]amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-[2-(4-ethoxysulfinylpiperazin-1-yl)-2-oxoethyl]amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID59935061
Molecular FormulaC24H43N5O11S
Molecular Weight609.70 g/mol
Exact Mass609.27
IUPAC Namemethyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-[2-(4-ethoxysulfinylpiperazin-1-yl)-2-oxoethyl]amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCCOS(=O)N1CCN(C(=O)CN(CCN(CC(=O)OC)CC(=O)OC)CCN(CC(=O)OC)CC(=O)OC)CC1
InChIInChI=1S/C24H43N5O11S/c1-6-40-41(35)29-13-11-28(12-14-29)20(30)15-25(7-9-26(16-21(31)36-2)17-22(32)37-3)8-10-27(18-23(33)38-4)19-24(34)39-5/h6-19H2,1-5H3
InChIKeySVMKJPOAENAZLC-UHFFFAOYSA-N
XLogP-2.66
TPSA164.77 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.70
LogP ≤ 5-2.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-[2-(4-ethoxysulfinylpiperazin-1-yl)-2-oxoethyl]amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate
CID 62953322
methyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955381
methyl 2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-propylamino]acetate
CID 62012533
methyl 8-[2-[decyl(nonyl)amino]ethyl-[2-[4-[2-[di(nonyl)amino]acetyl]piperazin-1-yl]-2-oxoethyl]amino]octanoate
CID 146540801
methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate
CID 142240195
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 19388423
methyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-propylamino]acetate
CID 62011377
ethyl 1-[2-[(2-methoxy-2-oxoethyl)-propylamino]acetyl]piperidine-3-carboxylate
CID 51107839
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 87578927
methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate
CID 62011095
methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 19426049

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-[2-(4-ethoxysulfinylpiperazin-1-yl)-2-oxoethyl]amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-[2-(4-ethoxysulfinylpiperazin-1-yl)-2-oxoethyl]amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 59935061) is methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-[2-(4-ethoxysulfinylpiperazin-1-yl)-2-oxoethyl]amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-[2-(4-ethoxysulfinylpiperazin-1-yl)-2-oxoethyl]amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-[2-(4-ethoxysulfinylpiperazin-1-yl)-2-oxoethyl]amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate is CCOS(=O)N1CCN(C(=O)CN(CCN(CC(=O)OC)CC(=O)OC)CCN(CC(=O)OC)CC(=O)OC)CC1.
What is the InChIKey of methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-[2-(4-ethoxysulfinylpiperazin-1-yl)-2-oxoethyl]amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is SVMKJPOAENAZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N5O11S/c1-6-40-41(35)29-13-11-28(12-14-29)20(30)15-25(7-9-26(16-21(31)36-2)17-22(32)37-3)8-10-27(18-23(33)38-4)19-24(34)39-5/h6-19H2,1-5H3.
What are the key properties of methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-[2-(4-ethoxysulfinylpiperazin-1-yl)-2-oxoethyl]amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-[2-(4-ethoxysulfinylpiperazin-1-yl)-2-oxoethyl]amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 609.70 g/mol, XLogP of -2.66, 19 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-[2-(4-ethoxysulfinylpiperazin-1-yl)-2-oxoethyl]amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 59935061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).