2-acridin-9-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[2-(2,4-difluorophenoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;4-(3,4-dimethoxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butan-1-one;dimethyl 4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]thiophene-2,3-dicarboxylate;2-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone

C135H174F2N4O26S8 — CID 159444045

About 2-acridin-9-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[2-(2,4-difluorophenoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;4-(3,4-dimethoxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butan-1-one;dimethyl 4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]thiophene-2,3-dicarboxylate;2-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone

2-acridin-9-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[2-(2,4-difluorophenoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;4-(3,4-dimethoxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butan-1-one;dimethyl 4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]thiophene-2,3-dicarboxylate;2-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone (PubChem CID 159444045) has the molecular formula C135H174F2N4O26S8 and a molecular weight of 2563.41 g/mol. Its IUPAC name is 2-acridin-9-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[2-(2,4-difluorophenoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;4-(3,4-dimethoxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butan-1-one;dimethyl 4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]thiophene-2,3-dicarboxylate;2-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone.

Molecular Properties

• Compound Name: 2-acridin-9-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[2-(2,4-difluorophenoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;4-(3,4-dimethoxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butan-1-one;dimethyl 4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]thiophene-2,3-dicarboxylate;2-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone
• PubChem CID: 159444045
• Molecular Formula: C135H174F2N4O26S8
• Molecular Weight: 2563.41 g/mol
• Exact Mass: 2561.02
• IUPAC Name: 2-acridin-9-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[2-(2,4-difluorophenoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;4-(3,4-dimethoxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butan-1-one;dimethyl 4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]thiophene-2,3-dicarboxylate;2-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone
• SMILES: CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2c3ccccc3nc3ccccc23)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2cc(-c3ccco3)n[nH]2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccccc2Oc2ccc(F)cc2F)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2nc(-c3cccc4ccccc34)cs2)CC1.COC(=O)c1scc(CC(=O)C2CCC(CS(=O)(=O)C(C)C)CC2)c1C(=O)OC.COc1ccc(CCCC(=O)C2CCC(CS(=O)(=O)C(C)C)CC2)cc1OC
• InChI: InChI=1S/C25H29NO3S2.C25H29NO3S.C24H28F2O4S.C22H34O5S.C20H28O7S2.C19H26N2O4S/c1-17(2)31(28,29)16-18-10-12-20(13-11-18)24(27)14-25-26-23(15-30-25)22-9-5-7-19-6-3-4-8-21(19)22;1-17(2)30(28,29)16-18-11-13-19(14-12-18)25(27)15-22-20-7-3-5-9-23(20)26-24-10-6-4-8-21(22)24;1-16(2)31(28,29)15-17-7-9-18(10-8-17)22(27)13-19-5-3-4-6-23(19)30-24-12-11-20(25)14-21(24)26;1-16(2)28(24,25)15-18-8-11-19(12-9-18)20(23)7-5-6-17-10-13-21(26-3)22(14-17)27-4;1-12(2)29(24,25)11-13-5-7-14(8-6-13)16(21)9-15-10-28-18(20(23)27-4)17(15)19(22)26-3;1-13(2)26(23,24)12-14-5-7-15(8-6-14)18(22)11-16-10-17(21-20-16)19-4-3-9-25-19/h3-9,15,17-18,20H,10-14,16H2,1-2H3;3-10,17-19H,11-16H2,1-2H3;3-6,11-12,14,16-18H,7-10,13,15H2,1-2H3;10,13-14,16,18-19H,5-9,11-12,15H2,1-4H3;10,12-14H,5-9,11H2,1-4H3;3-4,9-10,13-15H,5-8,11-12H2,1-2H3,(H,20,21)
• InChIKey: LSNOPXAHZJHXJZ-UHFFFAOYSA-N
• XLogP: 27.03
• TPSA: 455.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 46
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2563.41
LogP ≤ 5	27.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-acridin-9-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[2-(2,4-difluorophenoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;4-(3,4-dimethoxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butan-1-one;dimethyl 4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]thiophene-2,3-dicarboxylate;2-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone?

The IUPAC name of 2-acridin-9-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[2-(2,4-difluorophenoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;4-(3,4-dimethoxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butan-1-one;dimethyl 4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]thiophene-2,3-dicarboxylate;2-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone (CID 159444045) is 2-acridin-9-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[2-(2,4-difluorophenoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;4-(3,4-dimethoxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butan-1-one;dimethyl 4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]thiophene-2,3-dicarboxylate;2-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone.

What is the SMILES notation for 2-acridin-9-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[2-(2,4-difluorophenoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;4-(3,4-dimethoxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butan-1-one;dimethyl 4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]thiophene-2,3-dicarboxylate;2-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone?

The canonical SMILES for 2-acridin-9-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[2-(2,4-difluorophenoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;4-(3,4-dimethoxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butan-1-one;dimethyl 4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]thiophene-2,3-dicarboxylate;2-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone is CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2c3ccccc3nc3ccccc23)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2cc(-c3ccco3)n[nH]2)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccccc2Oc2ccc(F)cc2F)CC1.CC(C)S(=O)(=O)CC1CCC(C(=O)Cc2nc(-c3cccc4ccccc34)cs2)CC1.COC(=O)c1scc(CC(=O)C2CCC(CS(=O)(=O)C(C)C)CC2)c1C(=O)OC.COc1ccc(CCCC(=O)C2CCC(CS(=O)(=O)C(C)C)CC2)cc1OC.

What is the InChIKey of 2-acridin-9-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[2-(2,4-difluorophenoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;4-(3,4-dimethoxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butan-1-one;dimethyl 4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]thiophene-2,3-dicarboxylate;2-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone?

The InChIKey is LSNOPXAHZJHXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3S2.C25H29NO3S.C24H28F2O4S.C22H34O5S.C20H28O7S2.C19H26N2O4S/c1-17(2)31(28,29)16-18-10-12-20(13-11-18)24(27)14-25-26-23(15-30-25)22-9-5-7-19-6-3-4-8-21(19)22;1-17(2)30(28,29)16-18-11-13-19(14-12-18)25(27)15-22-20-7-3-5-9-23(20)26-24-10-6-4-8-21(22)24;1-16(2)31(28,29)15-17-7-9-18(10-8-17)22(27)13-19-5-3-4-6-23(19)30-24-12-11-20(25)14-21(24)26;1-16(2)28(24,25)15-18-8-11-19(12-9-18)20(23)7-5-6-17-10-13-21(26-3)22(14-17)27-4;1-12(2)29(24,25)11-13-5-7-14(8-6-13)16(21)9-15-10-28-18(20(23)27-4)17(15)19(22)26-3;1-13(2)26(23,24)12-14-5-7-15(8-6-14)18(22)11-16-10-17(21-20-16)19-4-3-9-25-19/h3-9,15,17-18,20H,10-14,16H2,1-2H3;3-10,17-19H,11-16H2,1-2H3;3-6,11-12,14,16-18H,7-10,13,15H2,1-2H3;10,13-14,16,18-19H,5-9,11-12,15H2,1-4H3;10,12-14H,5-9,11H2,1-4H3;3-4,9-10,13-15H,5-8,11-12H2,1-2H3,(H,20,21).

What are the key properties of 2-acridin-9-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[2-(2,4-difluorophenoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;4-(3,4-dimethoxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butan-1-one;dimethyl 4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]thiophene-2,3-dicarboxylate;2-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone?

2-acridin-9-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[2-(2,4-difluorophenoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;4-(3,4-dimethoxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butan-1-one;dimethyl 4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]thiophene-2,3-dicarboxylate;2-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone has a molecular weight of 2563.41 g/mol, XLogP of 27.03, 46 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acridin-9-yl-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-[2-(2,4-difluorophenoxy)phenyl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;4-(3,4-dimethoxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butan-1-one;dimethyl 4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]thiophene-2,3-dicarboxylate;2-[3-(furan-2-yl)-1H-pyrazol-5-yl]-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone;2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethanone is sourced from PubChem (CID 159444045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).