N,N-diethyl-3-hydroxy-4-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]thiophene-2-sulfonamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide

C121H127N19O28S2 — CID 160918963

About N,N-diethyl-3-hydroxy-4-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]thiophene-2-sulfonamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide

N,N-diethyl-3-hydroxy-4-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]thiophene-2-sulfonamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide (PubChem CID 160918963) has the molecular formula C121H127N19O28S2 and a molecular weight of 2359.59 g/mol. Its IUPAC name is N,N-diethyl-3-hydroxy-4-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]thiophene-2-sulfonamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide.

Molecular Properties

• Compound Name: N,N-diethyl-3-hydroxy-4-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]thiophene-2-sulfonamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide
• PubChem CID: 160918963
• Molecular Formula: C121H127N19O28S2
• Molecular Weight: 2359.59 g/mol
• Exact Mass: 2357.85
• IUPAC Name: N,N-diethyl-3-hydroxy-4-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]thiophene-2-sulfonamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide
• SMILES: CCN(CC)S(=O)(=O)c1scc(Nc2c(N[C@@H](c3ccc(C)o3)C(C)C)c(=O)c2=O)c1O.CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)c3cc(C)on3)c2O)c(=O)c1=O)c1ccc(C)o1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)c3ccccn3)c2O)c(=O)c1=O)c1ccc(C)o1.Cc1cc(N(C)C(=O)c2cccc(Nc3c(N[C@@H](c4ccc(C)o4)C(C)C)c(=O)c3=O)c2O)no1.Cc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)c4ccccn4)c3O)c(=O)c2=O)C(C)C)o1
• InChI: InChI=1S/C26H26N4O5.C25H26N4O6.C25H24N4O5.C24H24N4O6.C21H27N3O6S2/c1-14(2)20(18-12-11-15(3)35-18)29-22-21(24(32)25(22)33)28-17-9-7-8-16(23(17)31)26(34)30(4)19-10-5-6-13-27-19;1-12(2)19(17-10-9-13(3)34-17)27-21-20(23(31)24(21)32)26-16-8-6-7-15(22(16)30)25(33)29(5)18-11-14(4)35-28-18;1-4-16(18-12-11-14(2)34-18)27-20-21(24(32)23(20)31)28-17-9-7-8-15(22(17)30)25(33)29(3)19-10-5-6-13-26-19;1-5-15(17-10-9-12(2)33-17)25-19-20(23(31)22(19)30)26-16-8-6-7-14(21(16)29)24(32)28(4)18-11-13(3)34-27-18;1-6-24(7-2)32(28,29)21-18(25)13(10-31-21)22-16-17(20(27)19(16)26)23-15(11(3)4)14-9-8-12(5)30-14/h5-14,20,28-29,31H,1-4H3;6-12,19,26-27,30H,1-5H3;5-13,16,27-28,30H,4H2,1-3H3;6-11,15,25-26,29H,5H2,1-4H3;8-11,15,22-23,25H,6-7H2,1-5H3/t20-;19-;16-;2*15-/m11111/s1
• InChIKey: SRTWYVYZEHNRLH-MBABXFNNSA-N
• XLogP: 19.30
• TPSA: 654.31 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 43
• Rotatable Bonds: 42
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2359.59
LogP ≤ 5	19.30
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-hydroxy-4-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]thiophene-2-sulfonamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide?

The IUPAC name of N,N-diethyl-3-hydroxy-4-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]thiophene-2-sulfonamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide (CID 160918963) is N,N-diethyl-3-hydroxy-4-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]thiophene-2-sulfonamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide.

What is the SMILES notation for N,N-diethyl-3-hydroxy-4-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]thiophene-2-sulfonamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide?

The canonical SMILES for N,N-diethyl-3-hydroxy-4-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]thiophene-2-sulfonamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide is CCN(CC)S(=O)(=O)c1scc(Nc2c(N[C@@H](c3ccc(C)o3)C(C)C)c(=O)c2=O)c1O.CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)c3cc(C)on3)c2O)c(=O)c1=O)c1ccc(C)o1.CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)c3ccccn3)c2O)c(=O)c1=O)c1ccc(C)o1.Cc1cc(N(C)C(=O)c2cccc(Nc3c(N[C@@H](c4ccc(C)o4)C(C)C)c(=O)c3=O)c2O)no1.Cc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)c4ccccn4)c3O)c(=O)c2=O)C(C)C)o1.

What is the InChIKey of N,N-diethyl-3-hydroxy-4-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]thiophene-2-sulfonamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide?

The InChIKey is SRTWYVYZEHNRLH-MBABXFNNSA-N. The full InChI is InChI=1S/C26H26N4O5.C25H26N4O6.C25H24N4O5.C24H24N4O6.C21H27N3O6S2/c1-14(2)20(18-12-11-15(3)35-18)29-22-21(24(32)25(22)33)28-17-9-7-8-16(23(17)31)26(34)30(4)19-10-5-6-13-27-19;1-12(2)19(17-10-9-13(3)34-17)27-21-20(23(31)24(21)32)26-16-8-6-7-15(22(16)30)25(33)29(5)18-11-14(4)35-28-18;1-4-16(18-12-11-14(2)34-18)27-20-21(24(32)23(20)31)28-17-9-7-8-15(22(17)30)25(33)29(3)19-10-5-6-13-26-19;1-5-15(17-10-9-12(2)33-17)25-19-20(23(31)22(19)30)26-16-8-6-7-14(21(16)29)24(32)28(4)18-11-13(3)34-27-18;1-6-24(7-2)32(28,29)21-18(25)13(10-31-21)22-16-17(20(27)19(16)26)23-15(11(3)4)14-9-8-12(5)30-14/h5-14,20,28-29,31H,1-4H3;6-12,19,26-27,30H,1-5H3;5-13,16,27-28,30H,4H2,1-3H3;6-11,15,25-26,29H,5H2,1-4H3;8-11,15,22-23,25H,6-7H2,1-5H3/t20-;19-;16-;2*15-/m11111/s1.

What are the key properties of N,N-diethyl-3-hydroxy-4-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]thiophene-2-sulfonamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide?

N,N-diethyl-3-hydroxy-4-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]thiophene-2-sulfonamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide has a molecular weight of 2359.59 g/mol, XLogP of 19.30, 42 rotatable bonds, 15 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-3-hydroxy-4-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]thiophene-2-sulfonamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide;2-hydroxy-N-methyl-3-[[2-[[(1R)-2-methyl-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 160918963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).