methyl 2-[[4-[[4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenyl]methyl]phenyl]sulfonylamino]acetate

C19H22N2O8S2 — CID 3238699

IUPACmethyl 2-[[4-[[4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenyl]methyl]phenyl]sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1ccc(Cc2ccc(S(=O)(=O)NCC(=O)OC)cc2)cc1
InChIInChI=1S/C19H22N2O8S2/c1-28-18(22)12-20-30(24,25)16-7-3-14(4-8-16)11-15-5-9-17(10-6-15)31(26,27)21-13-19(23)29-2/h3-10,20-21H,11-13H2,1-2H3
InChIKeyYESWEAWOLRJQMF-UHFFFAOYSA-N
MW470.53 g/mol
LogP0.18
Rot. Bonds10

About methyl 2-[[4-[[4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenyl]methyl]phenyl]sulfonylamino]acetate

methyl 2-[[4-[[4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenyl]methyl]phenyl]sulfonylamino]acetate (PubChem CID 3238699) has the molecular formula C19H22N2O8S2 and a molecular weight of 470.53 g/mol. Its IUPAC name is methyl 2-[[4-[[4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenyl]methyl]phenyl]sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[[4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenyl]methyl]phenyl]sulfonylamino]acetate
PubChem CID3238699
Molecular FormulaC19H22N2O8S2
Molecular Weight470.53 g/mol
Exact Mass470.08
IUPAC Namemethyl 2-[[4-[[4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenyl]methyl]phenyl]sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1ccc(Cc2ccc(S(=O)(=O)NCC(=O)OC)cc2)cc1
InChIInChI=1S/C19H22N2O8S2/c1-28-18(22)12-20-30(24,25)16-7-3-14(4-8-16)11-15-5-9-17(10-6-15)31(26,27)21-13-19(23)29-2/h3-10,20-21H,11-13H2,1-2H3
InChIKeyYESWEAWOLRJQMF-UHFFFAOYSA-N
XLogP0.18
TPSA144.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[4-[[4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenyl]methyl]phenyl]sulfonylamino]acetate with MolForge

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Related Compounds

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CID 24901481
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CID 651995
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CID 562880
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CID 1943367
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CID 2190160
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CID 3240751
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CID 4182666
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CID 4213527
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CID 757399
CID 757399

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[[4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenyl]methyl]phenyl]sulfonylamino]acetate?
The IUPAC name of methyl 2-[[4-[[4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenyl]methyl]phenyl]sulfonylamino]acetate (CID 3238699) is methyl 2-[[4-[[4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenyl]methyl]phenyl]sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[[4-[[4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenyl]methyl]phenyl]sulfonylamino]acetate?
The canonical SMILES for methyl 2-[[4-[[4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenyl]methyl]phenyl]sulfonylamino]acetate is COC(=O)CNS(=O)(=O)c1ccc(Cc2ccc(S(=O)(=O)NCC(=O)OC)cc2)cc1.
What is the InChIKey of methyl 2-[[4-[[4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenyl]methyl]phenyl]sulfonylamino]acetate?
The InChIKey is YESWEAWOLRJQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O8S2/c1-28-18(22)12-20-30(24,25)16-7-3-14(4-8-16)11-15-5-9-17(10-6-15)31(26,27)21-13-19(23)29-2/h3-10,20-21H,11-13H2,1-2H3.
What are the key properties of methyl 2-[[4-[[4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenyl]methyl]phenyl]sulfonylamino]acetate?
methyl 2-[[4-[[4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenyl]methyl]phenyl]sulfonylamino]acetate has a molecular weight of 470.53 g/mol, XLogP of 0.18, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[[4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenyl]methyl]phenyl]sulfonylamino]acetate is sourced from PubChem (CID 3238699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).