1-acridin-9-yl-7-propan-2-ylsulfonylheptan-2-one;1-[2-(2,4-difluorophenoxy)-3-pyridinyl]-7-propan-2-ylsulfonylheptan-2-one;1-(3,4-dimethoxyphenyl)-9-propan-2-ylsulfonylnonan-4-one;dimethyl 4-(2-oxo-7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;1-[3-(furan-2-yl)-1H-pyrazol-5-yl]-7-propan-2-ylsulfonylheptan-2-one;1-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)-7-propan-2-ylsulfonylheptan-2-one;1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-7-propan-2-ylsulfonylheptan-2-one

C144H190F2N6O30S10 — CID 159485887

About 1-acridin-9-yl-7-propan-2-ylsulfonylheptan-2-one;1-[2-(2,4-difluorophenoxy)-3-pyridinyl]-7-propan-2-ylsulfonylheptan-2-one;1-(3,4-dimethoxyphenyl)-9-propan-2-ylsulfonylnonan-4-one;dimethyl 4-(2-oxo-7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;1-[3-(furan-2-yl)-1H-pyrazol-5-yl]-7-propan-2-ylsulfonylheptan-2-one;1-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)-7-propan-2-ylsulfonylheptan-2-one;1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-7-propan-2-ylsulfonylheptan-2-one

1-acridin-9-yl-7-propan-2-ylsulfonylheptan-2-one;1-[2-(2,4-difluorophenoxy)-3-pyridinyl]-7-propan-2-ylsulfonylheptan-2-one;1-(3,4-dimethoxyphenyl)-9-propan-2-ylsulfonylnonan-4-one;dimethyl 4-(2-oxo-7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;1-[3-(furan-2-yl)-1H-pyrazol-5-yl]-7-propan-2-ylsulfonylheptan-2-one;1-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)-7-propan-2-ylsulfonylheptan-2-one;1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-7-propan-2-ylsulfonylheptan-2-one (PubChem CID 159485887) has the molecular formula C144H190F2N6O30S10 and a molecular weight of 2843.78 g/mol. Its IUPAC name is 1-acridin-9-yl-7-propan-2-ylsulfonylheptan-2-one;1-[2-(2,4-difluorophenoxy)-3-pyridinyl]-7-propan-2-ylsulfonylheptan-2-one;1-(3,4-dimethoxyphenyl)-9-propan-2-ylsulfonylnonan-4-one;dimethyl 4-(2-oxo-7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;1-[3-(furan-2-yl)-1H-pyrazol-5-yl]-7-propan-2-ylsulfonylheptan-2-one;1-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)-7-propan-2-ylsulfonylheptan-2-one;1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-7-propan-2-ylsulfonylheptan-2-one.

Molecular Properties

• Compound Name: 1-acridin-9-yl-7-propan-2-ylsulfonylheptan-2-one;1-[2-(2,4-difluorophenoxy)-3-pyridinyl]-7-propan-2-ylsulfonylheptan-2-one;1-(3,4-dimethoxyphenyl)-9-propan-2-ylsulfonylnonan-4-one;dimethyl 4-(2-oxo-7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;1-[3-(furan-2-yl)-1H-pyrazol-5-yl]-7-propan-2-ylsulfonylheptan-2-one;1-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)-7-propan-2-ylsulfonylheptan-2-one;1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-7-propan-2-ylsulfonylheptan-2-one
• PubChem CID: 159485887
• Molecular Formula: C144H190F2N6O30S10
• Molecular Weight: 2843.78 g/mol
• Exact Mass: 2841.07
• IUPAC Name: 1-acridin-9-yl-7-propan-2-ylsulfonylheptan-2-one;1-[2-(2,4-difluorophenoxy)-3-pyridinyl]-7-propan-2-ylsulfonylheptan-2-one;1-(3,4-dimethoxyphenyl)-9-propan-2-ylsulfonylnonan-4-one;dimethyl 4-(2-oxo-7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;1-[3-(furan-2-yl)-1H-pyrazol-5-yl]-7-propan-2-ylsulfonylheptan-2-one;1-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)-7-propan-2-ylsulfonylheptan-2-one;1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-7-propan-2-ylsulfonylheptan-2-one
• SMILES: CC(C)S(=O)(=O)CCCCCC(=O)Cc1c2ccccc2nc2ccccc12.CC(C)S(=O)(=O)CCCCCC(=O)Cc1cc(-c2ccco2)n[nH]1.CC(C)S(=O)(=O)CCCCCC(=O)Cc1cccnc1Oc1ccc(F)cc1F.CC(C)S(=O)(=O)CCCCCC(=O)Cc1nc(-c2cccc3ccccc23)cs1.COC(=O)c1scc(CC(=O)CCCCCS(=O)(=O)C(C)C)c1C(=O)OC.COc1ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)c(Sc2ccccc2)n1.COc1ccc(CCCC(=O)CCCCCS(=O)(=O)C(C)C)cc1OC
• InChI: InChI=1S/C23H27NO3S2.C23H27NO3S.C22H29NO4S2.C21H25F2NO4S.C20H32O5S.C18H26O7S2.C17H24N2O4S/c1-17(2)29(26,27)14-7-3-4-11-19(25)15-23-24-22(16-28-23)21-13-8-10-18-9-5-6-12-20(18)21;1-17(2)28(26,27)15-9-3-4-10-18(25)16-21-19-11-5-7-13-22(19)24-23-14-8-6-12-20(21)23;1-17(2)29(25,26)15-9-5-6-10-19(24)16-18-13-14-21(27-3)23-22(18)28-20-11-7-4-8-12-20;1-15(2)29(26,27)12-5-3-4-8-18(25)13-16-7-6-11-24-21(16)28-20-10-9-17(22)14-19(20)23;1-16(2)26(22,23)14-7-5-6-10-18(21)11-8-9-17-12-13-19(24-3)20(15-17)25-4;1-12(2)27(22,23)9-7-5-6-8-14(19)10-13-11-26-16(18(21)25-4)15(13)17(20)24-3;1-13(2)24(21,22)10-5-3-4-7-15(20)11-14-12-16(19-18-14)17-8-6-9-23-17/h5-6,8-10,12-13,16-17H,3-4,7,11,14-15H2,1-2H3;5-8,11-14,17H,3-4,9-10,15-16H2,1-2H3;4,7-8,11-14,17H,5-6,9-10,15-16H2,1-3H3;6-7,9-11,14-15H,3-5,8,12-13H2,1-2H3;12-13,15-16H,5-11,14H2,1-4H3;11-12H,5-10H2,1-4H3;6,8-9,12-13H,3-5,7,10-11H2,1-2H3,(H,18,19)
• InChIKey: LXOOBYOBLZLTPM-UHFFFAOYSA-N
• XLogP: 29.69
• TPSA: 541.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 38
• Rotatable Bonds: 76
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2843.78
LogP ≤ 5	29.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-acridin-9-yl-7-propan-2-ylsulfonylheptan-2-one;1-[2-(2,4-difluorophenoxy)-3-pyridinyl]-7-propan-2-ylsulfonylheptan-2-one;1-(3,4-dimethoxyphenyl)-9-propan-2-ylsulfonylnonan-4-one;dimethyl 4-(2-oxo-7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;1-[3-(furan-2-yl)-1H-pyrazol-5-yl]-7-propan-2-ylsulfonylheptan-2-one;1-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)-7-propan-2-ylsulfonylheptan-2-one;1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-7-propan-2-ylsulfonylheptan-2-one?

The IUPAC name of 1-acridin-9-yl-7-propan-2-ylsulfonylheptan-2-one;1-[2-(2,4-difluorophenoxy)-3-pyridinyl]-7-propan-2-ylsulfonylheptan-2-one;1-(3,4-dimethoxyphenyl)-9-propan-2-ylsulfonylnonan-4-one;dimethyl 4-(2-oxo-7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;1-[3-(furan-2-yl)-1H-pyrazol-5-yl]-7-propan-2-ylsulfonylheptan-2-one;1-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)-7-propan-2-ylsulfonylheptan-2-one;1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-7-propan-2-ylsulfonylheptan-2-one (CID 159485887) is 1-acridin-9-yl-7-propan-2-ylsulfonylheptan-2-one;1-[2-(2,4-difluorophenoxy)-3-pyridinyl]-7-propan-2-ylsulfonylheptan-2-one;1-(3,4-dimethoxyphenyl)-9-propan-2-ylsulfonylnonan-4-one;dimethyl 4-(2-oxo-7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;1-[3-(furan-2-yl)-1H-pyrazol-5-yl]-7-propan-2-ylsulfonylheptan-2-one;1-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)-7-propan-2-ylsulfonylheptan-2-one;1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-7-propan-2-ylsulfonylheptan-2-one.

What is the SMILES notation for 1-acridin-9-yl-7-propan-2-ylsulfonylheptan-2-one;1-[2-(2,4-difluorophenoxy)-3-pyridinyl]-7-propan-2-ylsulfonylheptan-2-one;1-(3,4-dimethoxyphenyl)-9-propan-2-ylsulfonylnonan-4-one;dimethyl 4-(2-oxo-7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;1-[3-(furan-2-yl)-1H-pyrazol-5-yl]-7-propan-2-ylsulfonylheptan-2-one;1-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)-7-propan-2-ylsulfonylheptan-2-one;1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-7-propan-2-ylsulfonylheptan-2-one?

The canonical SMILES for 1-acridin-9-yl-7-propan-2-ylsulfonylheptan-2-one;1-[2-(2,4-difluorophenoxy)-3-pyridinyl]-7-propan-2-ylsulfonylheptan-2-one;1-(3,4-dimethoxyphenyl)-9-propan-2-ylsulfonylnonan-4-one;dimethyl 4-(2-oxo-7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;1-[3-(furan-2-yl)-1H-pyrazol-5-yl]-7-propan-2-ylsulfonylheptan-2-one;1-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)-7-propan-2-ylsulfonylheptan-2-one;1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-7-propan-2-ylsulfonylheptan-2-one is CC(C)S(=O)(=O)CCCCCC(=O)Cc1c2ccccc2nc2ccccc12.CC(C)S(=O)(=O)CCCCCC(=O)Cc1cc(-c2ccco2)n[nH]1.CC(C)S(=O)(=O)CCCCCC(=O)Cc1cccnc1Oc1ccc(F)cc1F.CC(C)S(=O)(=O)CCCCCC(=O)Cc1nc(-c2cccc3ccccc23)cs1.COC(=O)c1scc(CC(=O)CCCCCS(=O)(=O)C(C)C)c1C(=O)OC.COc1ccc(CC(=O)CCCCCS(=O)(=O)C(C)C)c(Sc2ccccc2)n1.COc1ccc(CCCC(=O)CCCCCS(=O)(=O)C(C)C)cc1OC.

What is the InChIKey of 1-acridin-9-yl-7-propan-2-ylsulfonylheptan-2-one;1-[2-(2,4-difluorophenoxy)-3-pyridinyl]-7-propan-2-ylsulfonylheptan-2-one;1-(3,4-dimethoxyphenyl)-9-propan-2-ylsulfonylnonan-4-one;dimethyl 4-(2-oxo-7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;1-[3-(furan-2-yl)-1H-pyrazol-5-yl]-7-propan-2-ylsulfonylheptan-2-one;1-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)-7-propan-2-ylsulfonylheptan-2-one;1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-7-propan-2-ylsulfonylheptan-2-one?

The InChIKey is LXOOBYOBLZLTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3S2.C23H27NO3S.C22H29NO4S2.C21H25F2NO4S.C20H32O5S.C18H26O7S2.C17H24N2O4S/c1-17(2)29(26,27)14-7-3-4-11-19(25)15-23-24-22(16-28-23)21-13-8-10-18-9-5-6-12-20(18)21;1-17(2)28(26,27)15-9-3-4-10-18(25)16-21-19-11-5-7-13-22(19)24-23-14-8-6-12-20(21)23;1-17(2)29(25,26)15-9-5-6-10-19(24)16-18-13-14-21(27-3)23-22(18)28-20-11-7-4-8-12-20;1-15(2)29(26,27)12-5-3-4-8-18(25)13-16-7-6-11-24-21(16)28-20-10-9-17(22)14-19(20)23;1-16(2)26(22,23)14-7-5-6-10-18(21)11-8-9-17-12-13-19(24-3)20(15-17)25-4;1-12(2)27(22,23)9-7-5-6-8-14(19)10-13-11-26-16(18(21)25-4)15(13)17(20)24-3;1-13(2)24(21,22)10-5-3-4-7-15(20)11-14-12-16(19-18-14)17-8-6-9-23-17/h5-6,8-10,12-13,16-17H,3-4,7,11,14-15H2,1-2H3;5-8,11-14,17H,3-4,9-10,15-16H2,1-2H3;4,7-8,11-14,17H,5-6,9-10,15-16H2,1-3H3;6-7,9-11,14-15H,3-5,8,12-13H2,1-2H3;12-13,15-16H,5-11,14H2,1-4H3;11-12H,5-10H2,1-4H3;6,8-9,12-13H,3-5,7,10-11H2,1-2H3,(H,18,19).

What are the key properties of 1-acridin-9-yl-7-propan-2-ylsulfonylheptan-2-one;1-[2-(2,4-difluorophenoxy)-3-pyridinyl]-7-propan-2-ylsulfonylheptan-2-one;1-(3,4-dimethoxyphenyl)-9-propan-2-ylsulfonylnonan-4-one;dimethyl 4-(2-oxo-7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;1-[3-(furan-2-yl)-1H-pyrazol-5-yl]-7-propan-2-ylsulfonylheptan-2-one;1-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)-7-propan-2-ylsulfonylheptan-2-one;1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-7-propan-2-ylsulfonylheptan-2-one?

1-acridin-9-yl-7-propan-2-ylsulfonylheptan-2-one;1-[2-(2,4-difluorophenoxy)-3-pyridinyl]-7-propan-2-ylsulfonylheptan-2-one;1-(3,4-dimethoxyphenyl)-9-propan-2-ylsulfonylnonan-4-one;dimethyl 4-(2-oxo-7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;1-[3-(furan-2-yl)-1H-pyrazol-5-yl]-7-propan-2-ylsulfonylheptan-2-one;1-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)-7-propan-2-ylsulfonylheptan-2-one;1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-7-propan-2-ylsulfonylheptan-2-one has a molecular weight of 2843.78 g/mol, XLogP of 29.69, 76 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acridin-9-yl-7-propan-2-ylsulfonylheptan-2-one;1-[2-(2,4-difluorophenoxy)-3-pyridinyl]-7-propan-2-ylsulfonylheptan-2-one;1-(3,4-dimethoxyphenyl)-9-propan-2-ylsulfonylnonan-4-one;dimethyl 4-(2-oxo-7-propan-2-ylsulfonylheptyl)thiophene-2,3-dicarboxylate;1-[3-(furan-2-yl)-1H-pyrazol-5-yl]-7-propan-2-ylsulfonylheptan-2-one;1-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)-7-propan-2-ylsulfonylheptan-2-one;1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-7-propan-2-ylsulfonylheptan-2-one is sourced from PubChem (CID 159485887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).