About 6-chloro-3-[[2-(2,2-dimethylpentan-3-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2,2,4,4-tetramethylpentan-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[4-chloro-2-hydroxy-3-(4-methylpiperazin-1-yl)sulfonylanilino]-4-[(5,5-dimethyl-1,4,6,7-tetrahydroinden-4-yl)amino]cyclobut-3-ene-1,2-dione;3-[(5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)amino]-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
6-chloro-3-[[2-(2,2-dimethylpentan-3-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2,2,4,4-tetramethylpentan-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[4-chloro-2-hydroxy-3-(4-methylpiperazin-1-yl)sulfonylanilino]-4-[(5,5-dimethyl-1,4,6,7-tetrahydroinden-4-yl)amino]cyclobut-3-ene-1,2-dione;3-[(5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)amino]-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide (PubChem CID 159474519) has the molecular formula C138H167Cl4N19O32S4
and a molecular weight of 2874.03 g/mol. Its IUPAC name is 6-chloro-3-[[2-(2,2-dimethylpentan-3-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2,2,4,4-tetramethylpentan-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[4-chloro-2-hydroxy-3-(4-methylpiperazin-1-yl)sulfonylanilino]-4-[(5,5-dimethyl-1,4,6,7-tetrahydroinden-4-yl)amino]cyclobut-3-ene-1,2-dione;3-[(5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)amino]-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide.
Frequently Asked Questions
What is the IUPAC name of 6-chloro-3-[[2-(2,2-dimethylpentan-3-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2,2,4,4-tetramethylpentan-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[4-chloro-2-hydroxy-3-(4-methylpiperazin-1-yl)sulfonylanilino]-4-[(5,5-dimethyl-1,4,6,7-tetrahydroinden-4-yl)amino]cyclobut-3-ene-1,2-dione;3-[(5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)amino]-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?
The IUPAC name of 6-chloro-3-[[2-(2,2-dimethylpentan-3-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2,2,4,4-tetramethylpentan-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[4-chloro-2-hydroxy-3-(4-methylpiperazin-1-yl)sulfonylanilino]-4-[(5,5-dimethyl-1,4,6,7-tetrahydroinden-4-yl)amino]cyclobut-3-ene-1,2-dione;3-[(5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)amino]-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide (CID 159474519) is 6-chloro-3-[[2-(2,2-dimethylpentan-3-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2,2,4,4-tetramethylpentan-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[4-chloro-2-hydroxy-3-(4-methylpiperazin-1-yl)sulfonylanilino]-4-[(5,5-dimethyl-1,4,6,7-tetrahydroinden-4-yl)amino]cyclobut-3-ene-1,2-dione;3-[(5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)amino]-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide.
What is the SMILES notation for 6-chloro-3-[[2-(2,2-dimethylpentan-3-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2,2,4,4-tetramethylpentan-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[4-chloro-2-hydroxy-3-(4-methylpiperazin-1-yl)sulfonylanilino]-4-[(5,5-dimethyl-1,4,6,7-tetrahydroinden-4-yl)amino]cyclobut-3-ene-1,2-dione;3-[(5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)amino]-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?
The canonical SMILES for 6-chloro-3-[[2-(2,2-dimethylpentan-3-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2,2,4,4-tetramethylpentan-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[4-chloro-2-hydroxy-3-(4-methylpiperazin-1-yl)sulfonylanilino]-4-[(5,5-dimethyl-1,4,6,7-tetrahydroinden-4-yl)amino]cyclobut-3-ene-1,2-dione;3-[(5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)amino]-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide is CC1(C)CCc2occc2C1Nc1c(Nc2cccc(C(=O)N3CCOCC3)c2O)c(=O)c1=O.CCC(Nc1c(Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2O)c(=O)c1=O)C(C)(C)C.CN(C)C(=O)c1cccc(Nc2c(NC3c4ccoc4CCCC3(C)C)c(=O)c2=O)c1O.CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(C(C)(C)C)C(C)(C)C)c(=O)c2=O)c1O.CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3c4ccoc4CCCC3(C)C)c(=O)c2=O)c1O.CN1CCN(S(=O)(=O)c2c(Cl)ccc(Nc3c(NC4C5=C(CC=C5)CCC4(C)C)c(=O)c3=O)c2O)CC1.
What is the InChIKey of 6-chloro-3-[[2-(2,2-dimethylpentan-3-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2,2,4,4-tetramethylpentan-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[4-chloro-2-hydroxy-3-(4-methylpiperazin-1-yl)sulfonylanilino]-4-[(5,5-dimethyl-1,4,6,7-tetrahydroinden-4-yl)amino]cyclobut-3-ene-1,2-dione;3-[(5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)amino]-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?
The InChIKey is LWFDOXLTJLAYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O5S.C25H27N3O6.C24H27N3O5.C23H26ClN3O6S.C21H30ClN3O5S.C19H26ClN3O5S/c1-26(2)10-9-15-5-4-6-16(15)25(26)29-20-19(22(33)23(20)34)28-18-8-7-17(27)24(21(18)32)37(35,36)31-13-11-30(3)12-14-31;1-25(2)8-6-17-14(7-11-34-17)23(25)27-19-18(21(30)22(19)31)26-16-5-3-4-15(20(16)29)24(32)28-9-12-33-13-10-28;1-24(2)11-6-9-16-13(10-12-32-16)22(24)26-18-17(20(29)21(18)30)25-15-8-5-7-14(19(15)28)23(31)27(3)4;1-23(2)10-5-6-15-12(9-11-33-15)22(23)26-17-16(19(29)20(17)30)25-14-8-7-13(24)21(18(14)28)34(31,32)27(3)4;1-20(2,3)19(21(4,5)6)24-14-13(16(27)17(14)28)23-12-10-9-11(22)18(15(12)26)31(29,30)25(7)8;1-7-12(19(2,3)4)22-14-13(16(25)17(14)26)21-11-9-8-10(20)18(15(11)24)29(27,28)23(5)6/h4,6-8,25,28-29,32H,5,9-14H2,1-3H3;3-5,7,11,23,26-27,29H,6,8-10,12-13H2,1-2H3;5,7-8,10,12,22,25-26,28H,6,9,11H2,1-4H3;7-9,11,22,25-26,28H,5-6,10H2,1-4H3;9-10,19,23-24,26H,1-8H3;8-9,12,21-22,24H,7H2,1-6H3.
What are the key properties of 6-chloro-3-[[2-(2,2-dimethylpentan-3-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2,2,4,4-tetramethylpentan-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[4-chloro-2-hydroxy-3-(4-methylpiperazin-1-yl)sulfonylanilino]-4-[(5,5-dimethyl-1,4,6,7-tetrahydroinden-4-yl)amino]cyclobut-3-ene-1,2-dione;3-[(5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)amino]-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide?
6-chloro-3-[[2-(2,2-dimethylpentan-3-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2,2,4,4-tetramethylpentan-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[4-chloro-2-hydroxy-3-(4-methylpiperazin-1-yl)sulfonylanilino]-4-[(5,5-dimethyl-1,4,6,7-tetrahydroinden-4-yl)amino]cyclobut-3-ene-1,2-dione;3-[(5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)amino]-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide has a molecular weight of 2874.03 g/mol, XLogP of 19.77, 35 rotatable bonds, 18 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[2-(2,2-dimethylpentan-3-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;6-chloro-3-[[3,4-dioxo-2-(2,2,4,4-tetramethylpentan-3-ylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[4-chloro-2-hydroxy-3-(4-methylpiperazin-1-yl)sulfonylanilino]-4-[(5,5-dimethyl-1,4,6,7-tetrahydroinden-4-yl)amino]cyclobut-3-ene-1,2-dione;3-[(5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)amino]-4-[2-hydroxy-3-(morpholine-4-carbonyl)anilino]cyclobut-3-ene-1,2-dione;3-[[2-[(5,5-dimethyl-4,6,7,8-tetrahydrocyclohepta[b]furan-4-yl)amino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide is sourced from PubChem (CID 159474519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).