11-(dimethylamino)-N-(3H-indol-2-yl)undecanamide;1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;bis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one);4-[(2-oxo-1,3-dihydroindol-6-yl)amino]butane-1-sulfonic acid

C127H114N16O27S3 — CID 159154828

About 11-(dimethylamino)-N-(3H-indol-2-yl)undecanamide;1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;bis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one);4-[(2-oxo-1,3-dihydroindol-6-yl)amino]butane-1-sulfonic acid

11-(dimethylamino)-N-(3H-indol-2-yl)undecanamide;1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;bis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one);4-[(2-oxo-1,3-dihydroindol-6-yl)amino]butane-1-sulfonic acid (PubChem CID 159154828) has the molecular formula C127H114N16O27S3 and a molecular weight of 2392.59 g/mol. Its IUPAC name is 11-(dimethylamino)-N-(3H-indol-2-yl)undecanamide;1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;bis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one);4-[(2-oxo-1,3-dihydroindol-6-yl)amino]butane-1-sulfonic acid.

Molecular Properties

• Compound Name: 11-(dimethylamino)-N-(3H-indol-2-yl)undecanamide;1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;bis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one);4-[(2-oxo-1,3-dihydroindol-6-yl)amino]butane-1-sulfonic acid
• PubChem CID: 159154828
• Molecular Formula: C127H114N16O27S3
• Molecular Weight: 2392.59 g/mol
• Exact Mass: 2390.72
• IUPAC Name: 11-(dimethylamino)-N-(3H-indol-2-yl)undecanamide;1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;bis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one);4-[(2-oxo-1,3-dihydroindol-6-yl)amino]butane-1-sulfonic acid
• SMILES: CCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(c3ccccc3S(=O)(=O)O)C4=O)cc2C1=O.CCN1C(=O)c2ccc(NC(=O)Nc3cccc(S(=O)(=O)O)c3)cc2C1=O.CN(C)CCCCCCCCCCC(=O)NC1=Nc2ccccc2C1.O=C1Cc2ccc(N3C(=O)c4ccc(C(=O)O)cc4C3=O)cc2N1.O=C1Cc2ccc(NCCCCS(=O)(=O)O)cc2N1.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21
• InChI: InChI=1S/C24H16N2O7S.C21H33N3O.2C18H12N2O2.C17H15N3O6S.C17H10N2O5.C12H16N2O4S/c1-2-25-21(27)15-9-7-13(11-17(15)22(25)28)14-8-10-16-18(12-14)24(30)26(23(16)29)19-5-3-4-6-20(19)34(31,32)33;1-24(2)16-12-8-6-4-3-5-7-9-15-21(25)23-20-17-18-13-10-11-14-19(18)22-20;2*21-17-13-14(16(20-17)12-9-5-2-6-10-12)18(22)19-15(13)11-7-3-1-4-8-11;1-2-20-15(21)13-7-6-11(9-14(13)16(20)22)19-17(23)18-10-4-3-5-12(8-10)27(24,25)26;20-14-6-8-1-3-10(7-13(8)18-14)19-15(21)11-4-2-9(17(23)24)5-12(11)16(19)22;15-12-7-9-3-4-10(8-11(9)14-12)13-5-1-2-6-19(16,17)18/h3-12H,2H2,1H3,(H,31,32,33);10-11,13-14H,3-9,12,15-17H2,1-2H3,(H,22,23,25);2*1-10,19,22H;3-9H,2H2,1H3,(H2,18,19,23)(H,24,25,26);1-5,7H,6H2,(H,18,20)(H,23,24);3-4,8,13H,1-2,5-7H2,(H,14,15)(H,16,17,18)
• InChIKey: NHSFZAYFQOXHNL-UHFFFAOYSA-N
• XLogP: 19.37
• TPSA: 636.89 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 26
• Rotatable Bonds: 31
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2392.59
LogP ≤ 5	19.37
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-(dimethylamino)-N-(3H-indol-2-yl)undecanamide;1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;bis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one);4-[(2-oxo-1,3-dihydroindol-6-yl)amino]butane-1-sulfonic acid?

The IUPAC name of 11-(dimethylamino)-N-(3H-indol-2-yl)undecanamide;1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;bis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one);4-[(2-oxo-1,3-dihydroindol-6-yl)amino]butane-1-sulfonic acid (CID 159154828) is 11-(dimethylamino)-N-(3H-indol-2-yl)undecanamide;1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;bis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one);4-[(2-oxo-1,3-dihydroindol-6-yl)amino]butane-1-sulfonic acid.

What is the SMILES notation for 11-(dimethylamino)-N-(3H-indol-2-yl)undecanamide;1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;bis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one);4-[(2-oxo-1,3-dihydroindol-6-yl)amino]butane-1-sulfonic acid?

The canonical SMILES for 11-(dimethylamino)-N-(3H-indol-2-yl)undecanamide;1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;bis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one);4-[(2-oxo-1,3-dihydroindol-6-yl)amino]butane-1-sulfonic acid is CCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(c3ccccc3S(=O)(=O)O)C4=O)cc2C1=O.CCN1C(=O)c2ccc(NC(=O)Nc3cccc(S(=O)(=O)O)c3)cc2C1=O.CN(C)CCCCCCCCCCC(=O)NC1=Nc2ccccc2C1.O=C1Cc2ccc(N3C(=O)c4ccc(C(=O)O)cc4C3=O)cc2N1.O=C1Cc2ccc(NCCCCS(=O)(=O)O)cc2N1.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.

What is the InChIKey of 11-(dimethylamino)-N-(3H-indol-2-yl)undecanamide;1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;bis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one);4-[(2-oxo-1,3-dihydroindol-6-yl)amino]butane-1-sulfonic acid?

The InChIKey is NHSFZAYFQOXHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O7S.C21H33N3O.2C18H12N2O2.C17H15N3O6S.C17H10N2O5.C12H16N2O4S/c1-2-25-21(27)15-9-7-13(11-17(15)22(25)28)14-8-10-16-18(12-14)24(30)26(23(16)29)19-5-3-4-6-20(19)34(31,32)33;1-24(2)16-12-8-6-4-3-5-7-9-15-21(25)23-20-17-18-13-10-11-14-19(18)22-20;2*21-17-13-14(16(20-17)12-9-5-2-6-10-12)18(22)19-15(13)11-7-3-1-4-8-11;1-2-20-15(21)13-7-6-11(9-14(13)16(20)22)19-17(23)18-10-4-3-5-12(8-10)27(24,25)26;20-14-6-8-1-3-10(7-13(8)18-14)19-15(21)11-4-2-9(17(23)24)5-12(11)16(19)22;15-12-7-9-3-4-10(8-11(9)14-12)13-5-1-2-6-19(16,17)18/h3-12H,2H2,1H3,(H,31,32,33);10-11,13-14H,3-9,12,15-17H2,1-2H3,(H,22,23,25);2*1-10,19,22H;3-9H,2H2,1H3,(H2,18,19,23)(H,24,25,26);1-5,7H,6H2,(H,18,20)(H,23,24);3-4,8,13H,1-2,5-7H2,(H,14,15)(H,16,17,18).

What are the key properties of 11-(dimethylamino)-N-(3H-indol-2-yl)undecanamide;1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;bis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one);4-[(2-oxo-1,3-dihydroindol-6-yl)amino]butane-1-sulfonic acid?

11-(dimethylamino)-N-(3H-indol-2-yl)undecanamide;1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;bis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one);4-[(2-oxo-1,3-dihydroindol-6-yl)amino]butane-1-sulfonic acid has a molecular weight of 2392.59 g/mol, XLogP of 19.37, 31 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(dimethylamino)-N-(3H-indol-2-yl)undecanamide;1,3-dioxo-2-(2-oxo-1,3-dihydroindol-6-yl)isoindole-5-carboxylic acid;3-[(2-ethyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzenesulfonic acid;2-[5-(2-ethyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]benzenesulfonic acid;bis(3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one);4-[(2-oxo-1,3-dihydroindol-6-yl)amino]butane-1-sulfonic acid is sourced from PubChem (CID 159154828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).