N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]-2-phenylmethoxyacetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide

C72H77F2N9O24S3 — CID 161400710

IUPACN-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]-2-phenylmethoxyacetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide
SMILESCCOc1nc(C(CS(C)(=O)=O)N2C(=O)c3c(F)ccc(NC(=O)COC)c3C2=O)ccc1OC.CCOc1nc([C@@H](CS(C)(=O)=O)N2C(=O)c3c(F)ccc(NC(=O)COC)c3C2=O)ccc1OC.CCOc1nc([C@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(=O)COCc4ccccc4)c3C2=O)ccc1OC
InChIInChI=1S/C28H29N3O8S.2C22H24FN3O8S/c1-4-39-26-23(37-2)14-13-20(30-26)22(17-40(3,35)36)31-27(33)19-11-8-12-21(25(19)28(31)34)29-24(32)16-38-15-18-9-6-5-7-10-18;2*1-5-34-20-16(33-3)9-8-13(25-20)15(11-35(4,30)31)26-21(28)18-12(23)6-7-14(19(18)22(26)29)24-17(27)10-32-2/h5-14,22H,4,15-17H2,1-3H3,(H,29,32);2*6-9,15H,5,10-11H2,1-4H3,(H,24,27)/t22-;15-;/m01./s1
InChIKeyVUEVFCCRHVIWDK-RZMTYUFWSA-N
MW1586.64 g/mol
LogP6.22
Rot. Bonds32

About N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]-2-phenylmethoxyacetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide

N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]-2-phenylmethoxyacetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide (PubChem CID 161400710) has the molecular formula C72H77F2N9O24S3 and a molecular weight of 1586.64 g/mol. Its IUPAC name is N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]-2-phenylmethoxyacetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]-2-phenylmethoxyacetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide
PubChem CID161400710
Molecular FormulaC72H77F2N9O24S3
Molecular Weight1586.64 g/mol
Exact Mass1585.42
IUPAC NameN-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]-2-phenylmethoxyacetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide
SMILESCCOc1nc(C(CS(C)(=O)=O)N2C(=O)c3c(F)ccc(NC(=O)COC)c3C2=O)ccc1OC.CCOc1nc([C@@H](CS(C)(=O)=O)N2C(=O)c3c(F)ccc(NC(=O)COC)c3C2=O)ccc1OC.CCOc1nc([C@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(=O)COCc4ccccc4)c3C2=O)ccc1OC
InChIInChI=1S/C28H29N3O8S.2C22H24FN3O8S/c1-4-39-26-23(37-2)14-13-20(30-26)22(17-40(3,35)36)31-27(33)19-11-8-12-21(25(19)28(31)34)29-24(32)16-38-15-18-9-6-5-7-10-18;2*1-5-34-20-16(33-3)9-8-13(25-20)15(11-35(4,30)31)26-21(28)18-12(23)6-7-14(19(18)22(26)29)24-17(27)10-32-2/h5-14,22H,4,15-17H2,1-3H3,(H,29,32);2*6-9,15H,5,10-11H2,1-4H3,(H,24,27)/t22-;15-;/m01./s1
InChIKeyVUEVFCCRHVIWDK-RZMTYUFWSA-N
XLogP6.22
TPSA423.60 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds32
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001586.64
LogP ≤ 56.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]-2-phenylmethoxyacetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]-2-phenylmethoxyacetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]-2-phenylmethoxyacetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide (CID 161400710) is N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]-2-phenylmethoxyacetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]-2-phenylmethoxyacetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]-2-phenylmethoxyacetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide is CCOc1nc(C(CS(C)(=O)=O)N2C(=O)c3c(F)ccc(NC(=O)COC)c3C2=O)ccc1OC.CCOc1nc([C@@H](CS(C)(=O)=O)N2C(=O)c3c(F)ccc(NC(=O)COC)c3C2=O)ccc1OC.CCOc1nc([C@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(=O)COCc4ccccc4)c3C2=O)ccc1OC.
What is the InChIKey of N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]-2-phenylmethoxyacetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide?
The InChIKey is VUEVFCCRHVIWDK-RZMTYUFWSA-N. The full InChI is InChI=1S/C28H29N3O8S.2C22H24FN3O8S/c1-4-39-26-23(37-2)14-13-20(30-26)22(17-40(3,35)36)31-27(33)19-11-8-12-21(25(19)28(31)34)29-24(32)16-38-15-18-9-6-5-7-10-18;2*1-5-34-20-16(33-3)9-8-13(25-20)15(11-35(4,30)31)26-21(28)18-12(23)6-7-14(19(18)22(26)29)24-17(27)10-32-2/h5-14,22H,4,15-17H2,1-3H3,(H,29,32);2*6-9,15H,5,10-11H2,1-4H3,(H,24,27)/t22-;15-;/m01./s1.
What are the key properties of N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]-2-phenylmethoxyacetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide?
N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]-2-phenylmethoxyacetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide has a molecular weight of 1586.64 g/mol, XLogP of 6.22, 32 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]-2-phenylmethoxyacetamide;N-[2-[(1S)-1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide;N-[2-[1-(6-ethoxy-5-methoxy-2-pyridinyl)-2-methylsulfonylethyl]-7-fluoro-1,3-dioxoisoindol-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 161400710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).