2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-2-(3-methoxy-5-methylsulfonylanilino)ethanone;2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-2-(3-methoxy-5-methylsulfonylanilino)-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;4-[5-chloro-2-[2-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-1-(3-methoxy-5-methylsulfonylanilino)-2-oxoethyl]phenoxy]butanoic acid;4-[5-chloro-2-[1-(3-methoxy-5-methylsulfonylanilino)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]phenoxy]butanoic acid

C114H124Cl4N8O28S4 — CID 159007632

About 2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-2-(3-methoxy-5-methylsulfonylanilino)ethanone;2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-2-(3-methoxy-5-methylsulfonylanilino)-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;4-[5-chloro-2-[2-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-1-(3-methoxy-5-methylsulfonylanilino)-2-oxoethyl]phenoxy]butanoic acid;4-[5-chloro-2-[1-(3-methoxy-5-methylsulfonylanilino)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]phenoxy]butanoic acid

2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-2-(3-methoxy-5-methylsulfonylanilino)ethanone;2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-2-(3-methoxy-5-methylsulfonylanilino)-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;4-[5-chloro-2-[2-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-1-(3-methoxy-5-methylsulfonylanilino)-2-oxoethyl]phenoxy]butanoic acid;4-[5-chloro-2-[1-(3-methoxy-5-methylsulfonylanilino)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]phenoxy]butanoic acid (PubChem CID 159007632) has the molecular formula C114H124Cl4N8O28S4 and a molecular weight of 2324.35 g/mol. Its IUPAC name is 2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-2-(3-methoxy-5-methylsulfonylanilino)ethanone;2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-2-(3-methoxy-5-methylsulfonylanilino)-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;4-[5-chloro-2-[2-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-1-(3-methoxy-5-methylsulfonylanilino)-2-oxoethyl]phenoxy]butanoic acid;4-[5-chloro-2-[1-(3-methoxy-5-methylsulfonylanilino)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]phenoxy]butanoic acid.

Molecular Properties

• Compound Name: 2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-2-(3-methoxy-5-methylsulfonylanilino)ethanone;2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-2-(3-methoxy-5-methylsulfonylanilino)-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;4-[5-chloro-2-[2-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-1-(3-methoxy-5-methylsulfonylanilino)-2-oxoethyl]phenoxy]butanoic acid;4-[5-chloro-2-[1-(3-methoxy-5-methylsulfonylanilino)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]phenoxy]butanoic acid
• PubChem CID: 159007632
• Molecular Formula: C114H124Cl4N8O28S4
• Molecular Weight: 2324.35 g/mol
• Exact Mass: 2320.62
• IUPAC Name: 2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-2-(3-methoxy-5-methylsulfonylanilino)ethanone;2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-2-(3-methoxy-5-methylsulfonylanilino)-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;4-[5-chloro-2-[2-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-1-(3-methoxy-5-methylsulfonylanilino)-2-oxoethyl]phenoxy]butanoic acid;4-[5-chloro-2-[1-(3-methoxy-5-methylsulfonylanilino)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]phenoxy]butanoic acid
• SMILES: COc1cc(NC(C(=O)N2CCc3cc(CO)c(C)cc32)c2ccc(Cl)cc2OCCCC(=O)O)cc(S(C)(=O)=O)c1.COc1cc(NC(C(=O)N2CCc3cc(CO)c(C)cc32)c2ccc(Cl)cc2OCCO)cc(S(C)(=O)=O)c1.COc1cc(NC(C(=O)N2CCc3ccc(C)cc32)c2ccc(Cl)cc2OCCCC(=O)O)cc(S(C)(=O)=O)c1.COc1cc(NC(C(=O)N2CCc3ccc(C)cc32)c2ccc(Cl)cc2OCCO)cc(S(C)(=O)=O)c1
• InChI: InChI=1S/C30H33ClN2O8S.C29H31ClN2O7S.C28H31ClN2O7S.C27H29ClN2O6S/c1-18-11-26-19(12-20(18)17-34)8-9-33(26)30(37)29(32-22-14-23(40-2)16-24(15-22)42(3,38)39)25-7-6-21(31)13-27(25)41-10-4-5-28(35)36;1-18-6-7-19-10-11-32(25(19)13-18)29(35)28(31-21-15-22(38-2)17-23(16-21)40(3,36)37)24-9-8-20(30)14-26(24)39-12-4-5-27(33)34;1-17-10-25-18(11-19(17)16-33)6-7-31(25)28(34)27(24-5-4-20(29)12-26(24)38-9-8-32)30-21-13-22(37-2)15-23(14-21)39(3,35)36;1-17-4-5-18-8-9-30(24(18)12-17)27(32)26(23-7-6-19(28)13-25(23)36-11-10-31)29-20-14-21(35-2)16-22(15-20)37(3,33)34/h6-7,11-16,29,32,34H,4-5,8-10,17H2,1-3H3,(H,35,36);6-9,13-17,28,31H,4-5,10-12H2,1-3H3,(H,33,34);4-5,10-15,27,30,32-33H,6-9,16H2,1-3H3;4-7,12-16,26,29,31H,8-11H2,1-3H3
• InChIKey: JSCPVKRLSQRHIP-UHFFFAOYSA-N
• XLogP: 17.43
• TPSA: 495.28 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 42
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2324.35
LogP ≤ 5	17.43
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-2-(3-methoxy-5-methylsulfonylanilino)ethanone;2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-2-(3-methoxy-5-methylsulfonylanilino)-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;4-[5-chloro-2-[2-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-1-(3-methoxy-5-methylsulfonylanilino)-2-oxoethyl]phenoxy]butanoic acid;4-[5-chloro-2-[1-(3-methoxy-5-methylsulfonylanilino)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]phenoxy]butanoic acid?

The IUPAC name of 2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-2-(3-methoxy-5-methylsulfonylanilino)ethanone;2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-2-(3-methoxy-5-methylsulfonylanilino)-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;4-[5-chloro-2-[2-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-1-(3-methoxy-5-methylsulfonylanilino)-2-oxoethyl]phenoxy]butanoic acid;4-[5-chloro-2-[1-(3-methoxy-5-methylsulfonylanilino)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]phenoxy]butanoic acid (CID 159007632) is 2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-2-(3-methoxy-5-methylsulfonylanilino)ethanone;2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-2-(3-methoxy-5-methylsulfonylanilino)-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;4-[5-chloro-2-[2-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-1-(3-methoxy-5-methylsulfonylanilino)-2-oxoethyl]phenoxy]butanoic acid;4-[5-chloro-2-[1-(3-methoxy-5-methylsulfonylanilino)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]phenoxy]butanoic acid.

What is the SMILES notation for 2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-2-(3-methoxy-5-methylsulfonylanilino)ethanone;2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-2-(3-methoxy-5-methylsulfonylanilino)-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;4-[5-chloro-2-[2-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-1-(3-methoxy-5-methylsulfonylanilino)-2-oxoethyl]phenoxy]butanoic acid;4-[5-chloro-2-[1-(3-methoxy-5-methylsulfonylanilino)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]phenoxy]butanoic acid?

The canonical SMILES for 2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-2-(3-methoxy-5-methylsulfonylanilino)ethanone;2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-2-(3-methoxy-5-methylsulfonylanilino)-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;4-[5-chloro-2-[2-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-1-(3-methoxy-5-methylsulfonylanilino)-2-oxoethyl]phenoxy]butanoic acid;4-[5-chloro-2-[1-(3-methoxy-5-methylsulfonylanilino)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]phenoxy]butanoic acid is COc1cc(NC(C(=O)N2CCc3cc(CO)c(C)cc32)c2ccc(Cl)cc2OCCCC(=O)O)cc(S(C)(=O)=O)c1.COc1cc(NC(C(=O)N2CCc3cc(CO)c(C)cc32)c2ccc(Cl)cc2OCCO)cc(S(C)(=O)=O)c1.COc1cc(NC(C(=O)N2CCc3ccc(C)cc32)c2ccc(Cl)cc2OCCCC(=O)O)cc(S(C)(=O)=O)c1.COc1cc(NC(C(=O)N2CCc3ccc(C)cc32)c2ccc(Cl)cc2OCCO)cc(S(C)(=O)=O)c1.

What is the InChIKey of 2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-2-(3-methoxy-5-methylsulfonylanilino)ethanone;2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-2-(3-methoxy-5-methylsulfonylanilino)-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;4-[5-chloro-2-[2-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-1-(3-methoxy-5-methylsulfonylanilino)-2-oxoethyl]phenoxy]butanoic acid;4-[5-chloro-2-[1-(3-methoxy-5-methylsulfonylanilino)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]phenoxy]butanoic acid?

The InChIKey is JSCPVKRLSQRHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN2O8S.C29H31ClN2O7S.C28H31ClN2O7S.C27H29ClN2O6S/c1-18-11-26-19(12-20(18)17-34)8-9-33(26)30(37)29(32-22-14-23(40-2)16-24(15-22)42(3,38)39)25-7-6-21(31)13-27(25)41-10-4-5-28(35)36;1-18-6-7-19-10-11-32(25(19)13-18)29(35)28(31-21-15-22(38-2)17-23(16-21)40(3,36)37)24-9-8-20(30)14-26(24)39-12-4-5-27(33)34;1-17-10-25-18(11-19(17)16-33)6-7-31(25)28(34)27(24-5-4-20(29)12-26(24)38-9-8-32)30-21-13-22(37-2)15-23(14-21)39(3,35)36;1-17-4-5-18-8-9-30(24(18)12-17)27(32)26(23-7-6-19(28)13-25(23)36-11-10-31)29-20-14-21(35-2)16-22(15-20)37(3,33)34/h6-7,11-16,29,32,34H,4-5,8-10,17H2,1-3H3,(H,35,36);6-9,13-17,28,31H,4-5,10-12H2,1-3H3,(H,33,34);4-5,10-15,27,30,32-33H,6-9,16H2,1-3H3;4-7,12-16,26,29,31H,8-11H2,1-3H3.

What are the key properties of 2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-2-(3-methoxy-5-methylsulfonylanilino)ethanone;2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-2-(3-methoxy-5-methylsulfonylanilino)-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;4-[5-chloro-2-[2-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-1-(3-methoxy-5-methylsulfonylanilino)-2-oxoethyl]phenoxy]butanoic acid;4-[5-chloro-2-[1-(3-methoxy-5-methylsulfonylanilino)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]phenoxy]butanoic acid?

2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-2-(3-methoxy-5-methylsulfonylanilino)ethanone;2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-2-(3-methoxy-5-methylsulfonylanilino)-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;4-[5-chloro-2-[2-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-1-(3-methoxy-5-methylsulfonylanilino)-2-oxoethyl]phenoxy]butanoic acid;4-[5-chloro-2-[1-(3-methoxy-5-methylsulfonylanilino)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]phenoxy]butanoic acid has a molecular weight of 2324.35 g/mol, XLogP of 17.43, 42 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-1-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-2-(3-methoxy-5-methylsulfonylanilino)ethanone;2-[4-chloro-2-(2-hydroxyethoxy)phenyl]-2-(3-methoxy-5-methylsulfonylanilino)-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;4-[5-chloro-2-[2-[5-(hydroxymethyl)-6-methyl-2,3-dihydroindol-1-yl]-1-(3-methoxy-5-methylsulfonylanilino)-2-oxoethyl]phenoxy]butanoic acid;4-[5-chloro-2-[1-(3-methoxy-5-methylsulfonylanilino)-2-(6-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]phenoxy]butanoic acid is sourced from PubChem (CID 159007632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).