bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(3Z)-4-methyl-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

C128H160N20O12S4 — CID 159575333

IUPACbis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(3Z)-4-methyl-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(SC)cc32)c1C.CCSc1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)NCCN(CC)CC)c1C)C(=O)N2.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(C)=O)c(C)c32)c(C)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(C)=O)cc32)c(C)c1C
InChIInChI=1S/C24H32N4O2S.C23H30N4O2S.2C23H30N4O2.C18H20N2O2S.C17H18N2O2S/c1-6-28(7-2)12-11-25-24(30)22-15(4)21(26-16(22)5)14-19-18-13-17(31-8-3)9-10-20(18)27-23(19)29;1-6-27(7-2)11-10-24-23(29)21-14(3)20(25-15(21)4)13-18-17-12-16(30-5)8-9-19(17)26-22(18)28;2*1-6-27(7-2)11-10-24-23(29)21-15(4)20(25-16(21)5)13-18-17-12-14(3)8-9-19(17)26-22(18)28;1-9-10(2)15(19-12(9)4)8-13-17-11(3)16(23(5)22)7-6-14(17)20-18(13)21;1-9-10(2)16(18-11(9)3)8-14-13-7-12(22(4)21)5-6-15(13)19-17(14)20/h9-10,13-14,26H,6-8,11-12H2,1-5H3,(H,25,30)(H,27,29);8-9,12-13,25H,6-7,10-11H2,1-5H3,(H,24,29)(H,26,28);2*8-9,12-13,25H,6-7,10-11H2,1-5H3,(H,24,29)(H,26,28);6-8,19H,1-5H3,(H,20,21);5-8,18H,1-4H3,(H,19,20)/b19-14-;3*18-13-;13-8-;14-8-
InChIKeyMIIIBABSQVTSJR-JXQNLQLISA-N
MW2299.08 g/mol
LogP21.88
Rot. Bonds35

About bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(3Z)-4-methyl-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(3Z)-4-methyl-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (PubChem CID 159575333) has the molecular formula C128H160N20O12S4 and a molecular weight of 2299.08 g/mol. Its IUPAC name is bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(3Z)-4-methyl-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Namebis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(3Z)-4-methyl-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
PubChem CID159575333
Molecular FormulaC128H160N20O12S4
Molecular Weight2299.08 g/mol
Exact Mass2297.14
IUPAC Namebis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(3Z)-4-methyl-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(SC)cc32)c1C.CCSc1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)NCCN(CC)CC)c1C)C(=O)N2.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(C)=O)c(C)c32)c(C)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(C)=O)cc32)c(C)c1C
InChIInChI=1S/C24H32N4O2S.C23H30N4O2S.2C23H30N4O2.C18H20N2O2S.C17H18N2O2S/c1-6-28(7-2)12-11-25-24(30)22-15(4)21(26-16(22)5)14-19-18-13-17(31-8-3)9-10-20(18)27-23(19)29;1-6-27(7-2)11-10-24-23(29)21-14(3)20(25-15(21)4)13-18-17-12-16(30-5)8-9-19(17)26-22(18)28;2*1-6-27(7-2)11-10-24-23(29)21-15(4)20(25-16(21)5)13-18-17-12-14(3)8-9-19(17)26-22(18)28;1-9-10(2)15(19-12(9)4)8-13-17-11(3)16(23(5)22)7-6-14(17)20-18(13)21;1-9-10(2)16(18-11(9)3)8-14-13-7-12(22(4)21)5-6-15(13)19-17(14)20/h9-10,13-14,26H,6-8,11-12H2,1-5H3,(H,25,30)(H,27,29);8-9,12-13,25H,6-7,10-11H2,1-5H3,(H,24,29)(H,26,28);2*8-9,12-13,25H,6-7,10-11H2,1-5H3,(H,24,29)(H,26,28);6-8,19H,1-5H3,(H,20,21);5-8,18H,1-4H3,(H,19,20)/b19-14-;3*18-13-;13-8-;14-8-
InChIKeyMIIIBABSQVTSJR-JXQNLQLISA-N
XLogP21.88
TPSA432.84 Ų
H-Bond Donors16
H-Bond Acceptors18
Rotatable Bonds35
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002299.08
LogP ≤ 521.88
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(3Z)-4-methyl-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(3Z)-4-methyl-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(3Z)-4-methyl-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one (CID 159575333) is bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(3Z)-4-methyl-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(3Z)-4-methyl-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(3Z)-4-methyl-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(SC)cc32)c1C.CCSc1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)NCCN(CC)CC)c1C)C(=O)N2.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(C)=O)c(C)c32)c(C)c1C.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(C)=O)cc32)c(C)c1C.
What is the InChIKey of bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(3Z)-4-methyl-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is MIIIBABSQVTSJR-JXQNLQLISA-N. The full InChI is InChI=1S/C24H32N4O2S.C23H30N4O2S.2C23H30N4O2.C18H20N2O2S.C17H18N2O2S/c1-6-28(7-2)12-11-25-24(30)22-15(4)21(26-16(22)5)14-19-18-13-17(31-8-3)9-10-20(18)27-23(19)29;1-6-27(7-2)11-10-24-23(29)21-14(3)20(25-15(21)4)13-18-17-12-16(30-5)8-9-19(17)26-22(18)28;2*1-6-27(7-2)11-10-24-23(29)21-15(4)20(25-16(21)5)13-18-17-12-14(3)8-9-19(17)26-22(18)28;1-9-10(2)15(19-12(9)4)8-13-17-11(3)16(23(5)22)7-6-14(17)20-18(13)21;1-9-10(2)16(18-11(9)3)8-14-13-7-12(22(4)21)5-6-15(13)19-17(14)20/h9-10,13-14,26H,6-8,11-12H2,1-5H3,(H,25,30)(H,27,29);8-9,12-13,25H,6-7,10-11H2,1-5H3,(H,24,29)(H,26,28);2*8-9,12-13,25H,6-7,10-11H2,1-5H3,(H,24,29)(H,26,28);6-8,19H,1-5H3,(H,20,21);5-8,18H,1-4H3,(H,19,20)/b19-14-;3*18-13-;13-8-;14-8-.
What are the key properties of bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(3Z)-4-methyl-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one?
bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(3Z)-4-methyl-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 2299.08 g/mol, XLogP of 21.88, 35 rotatable bonds, 16 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide);N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-(5-methylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-(5-ethylsulfanyl-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(3Z)-4-methyl-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;(3Z)-5-methylsulfinyl-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 159575333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).