methyl 2-[[3-[1-[[6-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenyl]sulfonylamino]acetate

C23H26N4O5S — CID 70977442

IUPACmethyl 2-[[3-[1-[[6-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenyl]sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1cccc(C(C)Nc2cc(-c3cccc(OC)c3)nc(C)n2)c1
InChIInChI=1S/C23H26N4O5S/c1-15(17-7-6-10-20(12-17)33(29,30)24-14-23(28)32-4)25-22-13-21(26-16(2)27-22)18-8-5-9-19(11-18)31-3/h5-13,15,24H,14H2,1-4H3,(H,25,26,27)
InChIKeyARAWKANBCDIVFL-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.09
Rot. Bonds9

About methyl 2-[[3-[1-[[6-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenyl]sulfonylamino]acetate

methyl 2-[[3-[1-[[6-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenyl]sulfonylamino]acetate (PubChem CID 70977442) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is methyl 2-[[3-[1-[[6-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenyl]sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[1-[[6-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenyl]sulfonylamino]acetate
PubChem CID70977442
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Namemethyl 2-[[3-[1-[[6-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenyl]sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1cccc(C(C)Nc2cc(-c3cccc(OC)c3)nc(C)n2)c1
InChIInChI=1S/C23H26N4O5S/c1-15(17-7-6-10-20(12-17)33(29,30)24-14-23(28)32-4)25-22-13-21(26-16(2)27-22)18-8-5-9-19(11-18)31-3/h5-13,15,24H,14H2,1-4H3,(H,25,26,27)
InChIKeyARAWKANBCDIVFL-UHFFFAOYSA-N
XLogP3.09
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[3-[1-[[6-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenyl]sulfonylamino]acetate with MolForge

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Related Compounds

3-{2-Methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzenesulfonamide
CID 11502516
[6-(3-Methanesulfonyl-phenyl)-2-methoxy-pyrimidin-4-yl]-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 11582363
2-ethyl-6-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 11646256
(2S)-2-[2-Methoxy-6-(3-methoxy-phenyl)-pyrimidin-4-ylamino]-3-(4-methoxy-phenyl)-propionic acid
CID 53319215
3-[[4-(3-Methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 137654966
3-[[4-[(3-Methoxyphenyl)methylamino]quinazolin-2-yl]amino]benzenesulfonamide
CID 155522946
N-[4-(2,6-Dimethyl-pyrimidin-4-ylsulfamoyl)-phenyl]-2-m-tolyloxy-acetamide
CID 2789353
[2-Methoxy-6-(3-methoxy-phenyl)-pyrimidin-4-yl]-(3-phenyl-propyl)-amine
CID 53321836
3-[1-[[6-(2-Chloro-3-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 70977078
2-[3-[1-[[6-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenoxy]-N-methylacetamide
CID 70977142
2-[3-[1-[[6-(3-Methoxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenoxy]acetonitrile
CID 70977211
6-(3-methoxy-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 70977802

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[1-[[6-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenyl]sulfonylamino]acetate?
The IUPAC name of methyl 2-[[3-[1-[[6-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenyl]sulfonylamino]acetate (CID 70977442) is methyl 2-[[3-[1-[[6-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenyl]sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[[3-[1-[[6-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenyl]sulfonylamino]acetate?
The canonical SMILES for methyl 2-[[3-[1-[[6-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenyl]sulfonylamino]acetate is COC(=O)CNS(=O)(=O)c1cccc(C(C)Nc2cc(-c3cccc(OC)c3)nc(C)n2)c1.
What is the InChIKey of methyl 2-[[3-[1-[[6-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenyl]sulfonylamino]acetate?
The InChIKey is ARAWKANBCDIVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-15(17-7-6-10-20(12-17)33(29,30)24-14-23(28)32-4)25-22-13-21(26-16(2)27-22)18-8-5-9-19(11-18)31-3/h5-13,15,24H,14H2,1-4H3,(H,25,26,27).
What are the key properties of methyl 2-[[3-[1-[[6-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenyl]sulfonylamino]acetate?
methyl 2-[[3-[1-[[6-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenyl]sulfonylamino]acetate has a molecular weight of 470.55 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[1-[[6-(3-methoxyphenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenyl]sulfonylamino]acetate is sourced from PubChem (CID 70977442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).