About 5-[(Z)-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-[5-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylmethoxy]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
5-[(Z)-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-[5-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylmethoxy]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 160690649) has the molecular formula C123H156N28O24S10
and a molecular weight of 2731.44 g/mol. Its IUPAC name is 5-[(Z)-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-[5-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylmethoxy]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 5-[(Z)-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-[5-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylmethoxy]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[(Z)-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-[5-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylmethoxy]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 160690649) is 5-[(Z)-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-[5-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylmethoxy]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[(Z)-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-[5-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylmethoxy]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[(Z)-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-[5-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylmethoxy]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C=NS(=O)(=O)c4nn(C)/c(=N/C(C)=O)s4)cc32)c1C.CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C=NS(=O)(=O)c4nnc(NC(C)=O)s4)cc32)c1C.CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(=O)(=O)N=Cc3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)NCCN(CC)CC)c3C)C(=O)N4)cc21.CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(=O)(=O)COc3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)NCCN(CC)CC)c3C)C(=O)N4)cc21.
What is the InChIKey of 5-[(Z)-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-[5-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylmethoxy]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is RPJAWCIONWHVLD-FXOSLKFZSA-N. The full InChI is InChI=1S/C35H47N7O7S3.C33H43N5O7S3.C28H34N8O5S2.C27H32N8O5S2/c1-7-36-30-21-42(14-10-16-49-6)52(47,48)35-27(30)19-31(50-35)51(45,46)38-20-24-11-12-28-25(17-24)26(33(43)40-28)18-29-22(4)32(23(5)39-29)34(44)37-13-15-41(8-2)9-3;1-7-34-28-14-19(4)48(43,44)33-25(28)17-29(46-33)47(41,42)18-45-22-10-11-26-23(15-22)24(31(39)37-26)16-27-20(5)30(21(6)36-27)32(40)35-12-13-38(8-2)9-3;1-7-36(8-2)12-11-29-26(39)24-16(3)23(31-17(24)4)14-21-20-13-19(9-10-22(20)33-25(21)38)15-30-43(40,41)28-34-35(6)27(42-28)32-18(5)37;1-6-35(7-2)11-10-28-25(38)23-15(3)22(30-16(23)4)13-20-19-12-18(8-9-21(19)32-24(20)37)14-29-42(39,40)27-34-33-26(41-27)31-17(5)36/h11-12,17-20,30,36,39H,7-10,13-16,21H2,1-6H3,(H,37,44)(H,40,43);10-11,15-17,19,28,34,36H,7-9,12-14,18H2,1-6H3,(H,35,40)(H,37,39);9-10,13-15,31H,7-8,11-12H2,1-6H3,(H,29,39)(H,33,38);8-9,12-14,30H,6-7,10-11H2,1-5H3,(H,28,38)(H,32,37)(H,31,33,36)/b26-18-,38-20?;24-16-;21-14-,30-15?,32-27-;20-13-,29-14?/t30-;19-,28-;;/m00../s1.
What are the key properties of 5-[(Z)-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-[5-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylmethoxy]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
5-[(Z)-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-[5-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylmethoxy]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 2731.44 g/mol, XLogP of 13.10, 50 rotatable bonds, 15 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;5-[(Z)-[5-[(5-acetylimino-4-methyl-1,3,4-thiadiazol-2-yl)sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyliminomethyl]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-5-[(Z)-[5-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonylmethoxy]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 160690649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).