3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-methyl-2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1S)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide

C179H190F6N36O40S5 — CID 158365861

IUPAC3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-methyl-2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1S)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide
SMILESCC(NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)NC1=O)c1ccco1.CC[C@@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)N(C)C1=O)c1cccs1.CC[C@@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)NC1=O)c1ccc(C)o1.CC[C@@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)NC1=O)c1ccco1.CC[C@@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)NC1=O)c1cccs1.CC[C@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)NC1=O)c1ccc(C)o1.CN(C)C(=O)c1cccc(NC2=C(NC(c3cccs3)C(F)(F)F)C(=O)NC2=O)c1O.CN(C)C(=O)c1cccc(NC2=C(N[C@@H](c3cccs3)C(F)(F)F)C(=O)NC2=O)c1O.C[C@@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)NC1=O)c1cccs1
InChIInChI=1S/2C21H24N4O5.C21H24N4O4S.C20H22N4O5.C20H22N4O4S.2C19H17F3N4O4S.C19H20N4O5.C19H20N4O4S/c2*1-5-13(15-10-9-11(2)30-15)22-16-17(20(28)24-19(16)27)23-14-8-6-7-12(18(14)26)21(29)25(3)4;1-5-13(15-10-7-11-30-15)22-16-17(21(29)25(4)20(16)28)23-14-9-6-8-12(18(14)26)19(27)24(2)3;2*1-4-12(14-9-6-10-29-14)21-15-16(19(27)23-18(15)26)22-13-8-5-7-11(17(13)25)20(28)24(2)3;2*1-26(2)18(30)9-5-3-6-10(14(9)27)23-12-13(17(29)25-16(12)28)24-15(19(20,21)22)11-7-4-8-31-11;2*1-10(13-8-5-9-28-13)20-14-15(18(26)22-17(14)25)21-12-7-4-6-11(16(12)24)19(27)23(2)3/h2*6-10,13,26H,5H2,1-4H3,(H3,22,23,24,27,28);6-11,13,22-23,26H,5H2,1-4H3;2*5-10,12,25H,4H2,1-3H3,(H3,21,22,23,26,27);2*3-8,15,27H,1-2H3,(H3,23,24,25,28,29);2*4-10,24H,1-3H3,(H3,20,21,22,25,26)/t3*13-;2*12-;15-;;;10-/m101110..1/s1
InChIKeyGUABVRBZPPTTAR-KXRGNPOESA-N
MW3760.02 g/mol
LogP18.20
Rot. Bonds59

About 3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-methyl-2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1S)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide

3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-methyl-2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1S)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide (PubChem CID 158365861) has the molecular formula C179H190F6N36O40S5 and a molecular weight of 3760.02 g/mol. Its IUPAC name is 3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-methyl-2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1S)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-methyl-2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1S)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide
PubChem CID158365861
Molecular FormulaC179H190F6N36O40S5
Molecular Weight3760.02 g/mol
Exact Mass3757.24
IUPAC Name3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-methyl-2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1S)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide
SMILESCC(NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)NC1=O)c1ccco1.CC[C@@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)N(C)C1=O)c1cccs1.CC[C@@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)NC1=O)c1ccc(C)o1.CC[C@@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)NC1=O)c1ccco1.CC[C@@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)NC1=O)c1cccs1.CC[C@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)NC1=O)c1ccc(C)o1.CN(C)C(=O)c1cccc(NC2=C(NC(c3cccs3)C(F)(F)F)C(=O)NC2=O)c1O.CN(C)C(=O)c1cccc(NC2=C(N[C@@H](c3cccs3)C(F)(F)F)C(=O)NC2=O)c1O.C[C@@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)NC1=O)c1cccs1
InChIInChI=1S/2C21H24N4O5.C21H24N4O4S.C20H22N4O5.C20H22N4O4S.2C19H17F3N4O4S.C19H20N4O5.C19H20N4O4S/c2*1-5-13(15-10-9-11(2)30-15)22-16-17(20(28)24-19(16)27)23-14-8-6-7-12(18(14)26)21(29)25(3)4;1-5-13(15-10-7-11-30-15)22-16-17(21(29)25(4)20(16)28)23-14-9-6-8-12(18(14)26)19(27)24(2)3;2*1-4-12(14-9-6-10-29-14)21-15-16(19(27)23-18(15)26)22-13-8-5-7-11(17(13)25)20(28)24(2)3;2*1-26(2)18(30)9-5-3-6-10(14(9)27)23-12-13(17(29)25-16(12)28)24-15(19(20,21)22)11-7-4-8-31-11;2*1-10(13-8-5-9-28-13)20-14-15(18(26)22-17(14)25)21-12-7-4-6-11(16(12)24)19(27)23(2)3/h2*6-10,13,26H,5H2,1-4H3,(H3,22,23,24,27,28);6-11,13,22-23,26H,5H2,1-4H3;2*5-10,12,25H,4H2,1-3H3,(H3,21,22,23,26,27);2*3-8,15,27H,1-2H3,(H3,23,24,25,28,29);2*4-10,24H,1-3H3,(H3,20,21,22,25,26)/t3*13-;2*12-;15-;;;10-/m101110..1/s1
InChIKeyGUABVRBZPPTTAR-KXRGNPOESA-N
XLogP18.20
TPSA1040.70 Ų
H-Bond Donors35
H-Bond Acceptors63
Rotatable Bonds59
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003760.02
LogP ≤ 518.20
H-Bond Donors ≤ 535
H-Bond Acceptors ≤ 1063

Analyze 3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-methyl-2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1S)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-methyl-2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1S)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide?
The IUPAC name of 3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-methyl-2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1S)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide (CID 158365861) is 3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-methyl-2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1S)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide.
What is the SMILES notation for 3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-methyl-2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1S)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide?
The canonical SMILES for 3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-methyl-2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1S)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide is CC(NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)NC1=O)c1ccco1.CC[C@@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)N(C)C1=O)c1cccs1.CC[C@@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)NC1=O)c1ccc(C)o1.CC[C@@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)NC1=O)c1ccco1.CC[C@@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)NC1=O)c1cccs1.CC[C@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)NC1=O)c1ccc(C)o1.CN(C)C(=O)c1cccc(NC2=C(NC(c3cccs3)C(F)(F)F)C(=O)NC2=O)c1O.CN(C)C(=O)c1cccc(NC2=C(N[C@@H](c3cccs3)C(F)(F)F)C(=O)NC2=O)c1O.C[C@@H](NC1=C(Nc2cccc(C(=O)N(C)C)c2O)C(=O)NC1=O)c1cccs1.
What is the InChIKey of 3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-methyl-2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1S)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide?
The InChIKey is GUABVRBZPPTTAR-KXRGNPOESA-N. The full InChI is InChI=1S/2C21H24N4O5.C21H24N4O4S.C20H22N4O5.C20H22N4O4S.2C19H17F3N4O4S.C19H20N4O5.C19H20N4O4S/c2*1-5-13(15-10-9-11(2)30-15)22-16-17(20(28)24-19(16)27)23-14-8-6-7-12(18(14)26)21(29)25(3)4;1-5-13(15-10-7-11-30-15)22-16-17(21(29)25(4)20(16)28)23-14-9-6-8-12(18(14)26)19(27)24(2)3;2*1-4-12(14-9-6-10-29-14)21-15-16(19(27)23-18(15)26)22-13-8-5-7-11(17(13)25)20(28)24(2)3;2*1-26(2)18(30)9-5-3-6-10(14(9)27)23-12-13(17(29)25-16(12)28)24-15(19(20,21)22)11-7-4-8-31-11;2*1-10(13-8-5-9-28-13)20-14-15(18(26)22-17(14)25)21-12-7-4-6-11(16(12)24)19(27)23(2)3/h2*6-10,13,26H,5H2,1-4H3,(H3,22,23,24,27,28);6-11,13,22-23,26H,5H2,1-4H3;2*5-10,12,25H,4H2,1-3H3,(H3,21,22,23,26,27);2*3-8,15,27H,1-2H3,(H3,23,24,25,28,29);2*4-10,24H,1-3H3,(H3,20,21,22,25,26)/t3*13-;2*12-;15-;;;10-/m101110..1/s1.
What are the key properties of 3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-methyl-2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1S)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide?
3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-methyl-2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1S)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide has a molecular weight of 3760.02 g/mol, XLogP of 18.20, 59 rotatable bonds, 35 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[2,5-dioxo-4-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]pyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[1-(furan-2-yl)ethylamino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;3-[[4-[[(1R)-1-(furan-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;2-hydroxy-N,N-dimethyl-3-[[1-methyl-2,5-dioxo-4-[[(1R)-1-thiophen-2-ylpropyl]amino]pyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1S)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2,5-dioxopyrrol-3-yl]amino]benzamide is sourced from PubChem (CID 158365861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).