N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide

C108H122N14O19S2 — CID 157098267

IUPACN-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide
SMILESCN(C)S(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1Cc2ccccc2C1.CS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1Cc2ccccc2C1.C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1.O=C(COc1cccc2cccnc12)NCC(O)CN1Cc2ccccc2C1.O=C(COc1cccc2cccnc12)NC[C@@H](O)CN1Cc2ccccc2C1
InChIInChI=1S/C23H25N3O3.2C22H23N3O3.C21H27N3O5S.C20H24N2O5S/c1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26;2*26-19(14-25-12-17-5-1-2-6-18(17)13-25)11-24-21(27)15-28-20-9-3-7-16-8-4-10-23-22(16)20;1-23(2)30(27,28)20-10-6-5-9-19(20)29-15-21(26)22-11-18(25)14-24-12-16-7-3-4-8-17(16)13-24;1-28(25,26)19-9-5-4-8-18(19)27-14-20(24)21-10-17(23)13-22-11-15-6-2-3-7-16(15)12-22/h2-11,16,20,27H,12-15H2,1H3,(H,25,28);2*1-10,19,26H,11-15H2,(H,24,27);3-10,18,25H,11-15H2,1-2H3,(H,22,26);2-9,17,23H,10-14H2,1H3,(H,21,24)/t16-,20+;19-;;;/m01.../s1
InChIKeyAFLQZWXZRRHRRV-RTNRPODJSA-N
MW1984.38 g/mol
LogP8.48
Rot. Bonds38

About N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide

N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide (PubChem CID 157098267) has the molecular formula C108H122N14O19S2 and a molecular weight of 1984.38 g/mol. Its IUPAC name is N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide.

Molecular Properties

Compound NameN-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide
PubChem CID157098267
Molecular FormulaC108H122N14O19S2
Molecular Weight1984.38 g/mol
Exact Mass1982.85
IUPAC NameN-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide
SMILESCN(C)S(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1Cc2ccccc2C1.CS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1Cc2ccccc2C1.C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1.O=C(COc1cccc2cccnc12)NCC(O)CN1Cc2ccccc2C1.O=C(COc1cccc2cccnc12)NC[C@@H](O)CN1Cc2ccccc2C1
InChIInChI=1S/C23H25N3O3.2C22H23N3O3.C21H27N3O5S.C20H24N2O5S/c1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26;2*26-19(14-25-12-17-5-1-2-6-18(17)13-25)11-24-21(27)15-28-20-9-3-7-16-8-4-10-23-22(16)20;1-23(2)30(27,28)20-10-6-5-9-19(20)29-15-21(26)22-11-18(25)14-24-12-16-7-3-4-8-17(16)13-24;1-28(25,26)19-9-5-4-8-18(19)27-14-20(24)21-10-17(23)13-22-11-15-6-2-3-7-16(15)12-22/h2-11,16,20,27H,12-15H2,1H3,(H,25,28);2*1-10,19,26H,11-15H2,(H,24,27);3-10,18,25H,11-15H2,1-2H3,(H,22,26);2-9,17,23H,10-14H2,1H3,(H,21,24)/t16-,20+;19-;;;/m01.../s1
InChIKeyAFLQZWXZRRHRRV-RTNRPODJSA-N
XLogP8.48
TPSA419.19 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds38
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001984.38
LogP ≤ 58.48
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide?
The IUPAC name of N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide (CID 157098267) is N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide.
What is the SMILES notation for N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide?
The canonical SMILES for N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide is CN(C)S(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1Cc2ccccc2C1.CS(=O)(=O)c1ccccc1OCC(=O)NCC(O)CN1Cc2ccccc2C1.C[C@H](Oc1cccc2cccnc12)C(=O)NC[C@@H](O)CN1Cc2ccccc2C1.O=C(COc1cccc2cccnc12)NCC(O)CN1Cc2ccccc2C1.O=C(COc1cccc2cccnc12)NC[C@@H](O)CN1Cc2ccccc2C1.
What is the InChIKey of N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide?
The InChIKey is AFLQZWXZRRHRRV-RTNRPODJSA-N. The full InChI is InChI=1S/C23H25N3O3.2C22H23N3O3.C21H27N3O5S.C20H24N2O5S/c1-16(29-21-10-4-8-17-9-5-11-24-22(17)21)23(28)25-12-20(27)15-26-13-18-6-2-3-7-19(18)14-26;2*26-19(14-25-12-17-5-1-2-6-18(17)13-25)11-24-21(27)15-28-20-9-3-7-16-8-4-10-23-22(16)20;1-23(2)30(27,28)20-10-6-5-9-19(20)29-15-21(26)22-11-18(25)14-24-12-16-7-3-4-8-17(16)13-24;1-28(25,26)19-9-5-4-8-18(19)27-14-20(24)21-10-17(23)13-22-11-15-6-2-3-7-16(15)12-22/h2-11,16,20,27H,12-15H2,1H3,(H,25,28);2*1-10,19,26H,11-15H2,(H,24,27);3-10,18,25H,11-15H2,1-2H3,(H,22,26);2-9,17,23H,10-14H2,1H3,(H,21,24)/t16-,20+;19-;;;/m01.../s1.
What are the key properties of N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide?
N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide has a molecular weight of 1984.38 g/mol, XLogP of 8.48, 38 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(2-methylsulfonylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;(2S)-N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxypropanamide is sourced from PubChem (CID 157098267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).