N-butan-2-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-5-propan-2-ylbenzamide;N-butan-2-yl-N-methyl-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;1-butyl-4-(2-methylpropyl)piperazine-2,3-dione;N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;2-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]-1,2-thiazolidine 1,1-dioxide;N-methyl-N-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]methanesulfonamide;N-methyl-N-[6-[(2-methylcyclopropyl)methylamino]-4-propan-2-yl-2-pyridinyl]methanesulfonamide

C115H178FN13O19S6 — CID 159868690

About N-butan-2-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-5-propan-2-ylbenzamide;N-butan-2-yl-N-methyl-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;1-butyl-4-(2-methylpropyl)piperazine-2,3-dione;N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;2-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]-1,2-thiazolidine 1,1-dioxide;N-methyl-N-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]methanesulfonamide;N-methyl-N-[6-[(2-methylcyclopropyl)methylamino]-4-propan-2-yl-2-pyridinyl]methanesulfonamide

N-butan-2-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-5-propan-2-ylbenzamide;N-butan-2-yl-N-methyl-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;1-butyl-4-(2-methylpropyl)piperazine-2,3-dione;N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;2-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]-1,2-thiazolidine 1,1-dioxide;N-methyl-N-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]methanesulfonamide;N-methyl-N-[6-[(2-methylcyclopropyl)methylamino]-4-propan-2-yl-2-pyridinyl]methanesulfonamide (PubChem CID 159868690) has the molecular formula C115H178FN13O19S6 and a molecular weight of 2258.16 g/mol. Its IUPAC name is N-butan-2-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-5-propan-2-ylbenzamide;N-butan-2-yl-N-methyl-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;1-butyl-4-(2-methylpropyl)piperazine-2,3-dione;N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;2-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]-1,2-thiazolidine 1,1-dioxide;N-methyl-N-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]methanesulfonamide;N-methyl-N-[6-[(2-methylcyclopropyl)methylamino]-4-propan-2-yl-2-pyridinyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-butan-2-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-5-propan-2-ylbenzamide;N-butan-2-yl-N-methyl-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;1-butyl-4-(2-methylpropyl)piperazine-2,3-dione;N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;2-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]-1,2-thiazolidine 1,1-dioxide;N-methyl-N-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]methanesulfonamide;N-methyl-N-[6-[(2-methylcyclopropyl)methylamino]-4-propan-2-yl-2-pyridinyl]methanesulfonamide
• PubChem CID: 159868690
• Molecular Formula: C115H178FN13O19S6
• Molecular Weight: 2258.16 g/mol
• Exact Mass: 2256.17
• IUPAC Name: N-butan-2-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-5-propan-2-ylbenzamide;N-butan-2-yl-N-methyl-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;1-butyl-4-(2-methylpropyl)piperazine-2,3-dione;N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;2-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]-1,2-thiazolidine 1,1-dioxide;N-methyl-N-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]methanesulfonamide;N-methyl-N-[6-[(2-methylcyclopropyl)methylamino]-4-propan-2-yl-2-pyridinyl]methanesulfonamide
• SMILES: CC(C)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1.CC(C)c1cc(NCC2CC2C)nc(N(C)S(C)(=O)=O)c1.CC(C)c1cc(OCC2CC2C)cc(N(C)S(C)(=O)=O)c1.CC(C)c1cc(OCC2CC2C)cc(N2CCCS2(=O)=O)c1.CCC(C)N(C)C(=O)c1cc(C(C)C)cc(N(C)S(C)(=O)=O)c1.CCC(C)N(C)C(=O)c1cc(C(C)C)cc(N2CCCS2(=O)=O)c1.CCCCN1CCN(CC(C)C)C(=O)C1=O
• InChI: InChI=1S/C20H25FN2O3S.C18H28N2O3S.C17H28N2O3S.C17H25NO3S.C16H25NO3S.C15H25N3O2S.C12H22N2O2/c1-13(2)16-10-17(12-19(11-16)23(4)27(5,25)26)20(24)22-14(3)15-6-8-18(21)9-7-15;1-6-14(4)19(5)18(21)16-10-15(13(2)3)11-17(12-16)20-8-7-9-24(20,22)23;1-8-13(4)18(5)17(20)15-9-14(12(2)3)10-16(11-15)19(6)23(7,21)22;1-12(2)14-8-16(18-5-4-6-22(18,19)20)10-17(9-14)21-11-15-7-13(15)3;1-11(2)13-7-15(17(4)21(5,18)19)9-16(8-13)20-10-14-6-12(14)3;1-10(2)12-7-14(16-9-13-6-11(13)3)17-15(8-12)18(4)21(5,19)20;1-4-5-6-13-7-8-14(9-10(2)3)12(16)11(13)15/h6-14H,1-5H3,(H,22,24);10-14H,6-9H2,1-5H3;9-13H,8H2,1-7H3;8-10,12-13,15H,4-7,11H2,1-3H3;7-9,11-12,14H,6,10H2,1-5H3;7-8,10-11,13H,6,9H2,1-5H3,(H,16,17);10H,4-9H2,1-3H3/t14-;;;;;;/m1....../s1
• InChIKey: NSBBXBREMJCKSO-YEYOTXFRSA-N
• XLogP: 20.54
• TPSA: 378.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 39
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2258.16
LogP ≤ 5	20.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-5-propan-2-ylbenzamide;N-butan-2-yl-N-methyl-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;1-butyl-4-(2-methylpropyl)piperazine-2,3-dione;N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;2-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]-1,2-thiazolidine 1,1-dioxide;N-methyl-N-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]methanesulfonamide;N-methyl-N-[6-[(2-methylcyclopropyl)methylamino]-4-propan-2-yl-2-pyridinyl]methanesulfonamide?

The IUPAC name of N-butan-2-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-5-propan-2-ylbenzamide;N-butan-2-yl-N-methyl-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;1-butyl-4-(2-methylpropyl)piperazine-2,3-dione;N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;2-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]-1,2-thiazolidine 1,1-dioxide;N-methyl-N-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]methanesulfonamide;N-methyl-N-[6-[(2-methylcyclopropyl)methylamino]-4-propan-2-yl-2-pyridinyl]methanesulfonamide (CID 159868690) is N-butan-2-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-5-propan-2-ylbenzamide;N-butan-2-yl-N-methyl-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;1-butyl-4-(2-methylpropyl)piperazine-2,3-dione;N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;2-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]-1,2-thiazolidine 1,1-dioxide;N-methyl-N-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]methanesulfonamide;N-methyl-N-[6-[(2-methylcyclopropyl)methylamino]-4-propan-2-yl-2-pyridinyl]methanesulfonamide.

What is the SMILES notation for N-butan-2-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-5-propan-2-ylbenzamide;N-butan-2-yl-N-methyl-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;1-butyl-4-(2-methylpropyl)piperazine-2,3-dione;N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;2-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]-1,2-thiazolidine 1,1-dioxide;N-methyl-N-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]methanesulfonamide;N-methyl-N-[6-[(2-methylcyclopropyl)methylamino]-4-propan-2-yl-2-pyridinyl]methanesulfonamide?

The canonical SMILES for N-butan-2-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-5-propan-2-ylbenzamide;N-butan-2-yl-N-methyl-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;1-butyl-4-(2-methylpropyl)piperazine-2,3-dione;N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;2-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]-1,2-thiazolidine 1,1-dioxide;N-methyl-N-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]methanesulfonamide;N-methyl-N-[6-[(2-methylcyclopropyl)methylamino]-4-propan-2-yl-2-pyridinyl]methanesulfonamide is CC(C)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1.CC(C)c1cc(NCC2CC2C)nc(N(C)S(C)(=O)=O)c1.CC(C)c1cc(OCC2CC2C)cc(N(C)S(C)(=O)=O)c1.CC(C)c1cc(OCC2CC2C)cc(N2CCCS2(=O)=O)c1.CCC(C)N(C)C(=O)c1cc(C(C)C)cc(N(C)S(C)(=O)=O)c1.CCC(C)N(C)C(=O)c1cc(C(C)C)cc(N2CCCS2(=O)=O)c1.CCCCN1CCN(CC(C)C)C(=O)C1=O.

What is the InChIKey of N-butan-2-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-5-propan-2-ylbenzamide;N-butan-2-yl-N-methyl-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;1-butyl-4-(2-methylpropyl)piperazine-2,3-dione;N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;2-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]-1,2-thiazolidine 1,1-dioxide;N-methyl-N-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]methanesulfonamide;N-methyl-N-[6-[(2-methylcyclopropyl)methylamino]-4-propan-2-yl-2-pyridinyl]methanesulfonamide?

The InChIKey is NSBBXBREMJCKSO-YEYOTXFRSA-N. The full InChI is InChI=1S/C20H25FN2O3S.C18H28N2O3S.C17H28N2O3S.C17H25NO3S.C16H25NO3S.C15H25N3O2S.C12H22N2O2/c1-13(2)16-10-17(12-19(11-16)23(4)27(5,25)26)20(24)22-14(3)15-6-8-18(21)9-7-15;1-6-14(4)19(5)18(21)16-10-15(13(2)3)11-17(12-16)20-8-7-9-24(20,22)23;1-8-13(4)18(5)17(20)15-9-14(12(2)3)10-16(11-15)19(6)23(7,21)22;1-12(2)14-8-16(18-5-4-6-22(18,19)20)10-17(9-14)21-11-15-7-13(15)3;1-11(2)13-7-15(17(4)21(5,18)19)9-16(8-13)20-10-14-6-12(14)3;1-10(2)12-7-14(16-9-13-6-11(13)3)17-15(8-12)18(4)21(5,19)20;1-4-5-6-13-7-8-14(9-10(2)3)12(16)11(13)15/h6-14H,1-5H3,(H,22,24);10-14H,6-9H2,1-5H3;9-13H,8H2,1-7H3;8-10,12-13,15H,4-7,11H2,1-3H3;7-9,11-12,14H,6,10H2,1-5H3;7-8,10-11,13H,6,9H2,1-5H3,(H,16,17);10H,4-9H2,1-3H3/t14-;;;;;;/m1....../s1.

What are the key properties of N-butan-2-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-5-propan-2-ylbenzamide;N-butan-2-yl-N-methyl-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;1-butyl-4-(2-methylpropyl)piperazine-2,3-dione;N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;2-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]-1,2-thiazolidine 1,1-dioxide;N-methyl-N-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]methanesulfonamide;N-methyl-N-[6-[(2-methylcyclopropyl)methylamino]-4-propan-2-yl-2-pyridinyl]methanesulfonamide?

N-butan-2-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-5-propan-2-ylbenzamide;N-butan-2-yl-N-methyl-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;1-butyl-4-(2-methylpropyl)piperazine-2,3-dione;N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;2-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]-1,2-thiazolidine 1,1-dioxide;N-methyl-N-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]methanesulfonamide;N-methyl-N-[6-[(2-methylcyclopropyl)methylamino]-4-propan-2-yl-2-pyridinyl]methanesulfonamide has a molecular weight of 2258.16 g/mol, XLogP of 20.54, 39 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-5-propan-2-ylbenzamide;N-butan-2-yl-N-methyl-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;1-butyl-4-(2-methylpropyl)piperazine-2,3-dione;N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[methyl(methylsulfonyl)amino]-5-propan-2-ylbenzamide;2-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]-1,2-thiazolidine 1,1-dioxide;N-methyl-N-[3-[(2-methylcyclopropyl)methoxy]-5-propan-2-ylphenyl]methanesulfonamide;N-methyl-N-[6-[(2-methylcyclopropyl)methylamino]-4-propan-2-yl-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 159868690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).