1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(2-methylpropylsulfonyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-N-propan-2-ylbenzenesulfonamide;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone

C132H190F3N3O25S8 — CID 162020670

IUPAC1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(2-methylpropylsulfonyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-N-propan-2-ylbenzenesulfonamide;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(-c3ccco3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(-c3ccno3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(C(F)(F)F)cn2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2cccc(OCC3CC3)c2)CC1.CC(C)CS(=O)(=O)c1ccc(CC(=O)C2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)NS(=O)(=O)c1cccc(CC(=O)C2CCC(CS(=O)(=O)C(C)(C)C)CC2)c1
InChIInChI=1S/C23H36O5S2.C23H30O4S.C23H34O4S.C22H35NO5S2.C22H29NO4S.C19H26F3NO3S/c1-17(2)15-29(25,26)21-12-8-18(9-13-21)14-22(24)20-10-6-19(7-11-20)16-30(27,28)23(3,4)5;1-23(2,3)28(25,26)16-18-8-10-19(11-9-18)21(24)15-17-6-12-20(13-7-17)22-5-4-14-27-22;1-23(2,3)28(25,26)16-18-9-11-20(12-10-18)22(24)14-19-5-4-6-21(13-19)27-15-17-7-8-17;1-16(2)23-30(27,28)20-8-6-7-18(13-20)14-21(24)19-11-9-17(10-12-19)15-29(25,26)22(3,4)5;1-22(2,3)28(25,26)15-17-6-8-18(9-7-17)20(24)14-16-4-10-19(11-5-16)21-12-13-23-27-21;1-18(2,3)27(25,26)12-13-4-6-14(7-5-13)17(24)10-16-9-8-15(11-23-16)19(20,21)22/h8-9,12-13,17,19-20H,6-7,10-11,14-16H2,1-5H3;4-7,12-14,18-19H,8-11,15-16H2,1-3H3;4-6,13,17-18,20H,7-12,14-16H2,1-3H3;6-8,13,16-17,19,23H,9-12,14-15H2,1-5H3;4-5,10-13,17-18H,6-9,14-15H2,1-3H3;8-9,11,13-14H,4-7,10,12H2,1-3H3
InChIKeyYURZRHRELGDQHK-UHFFFAOYSA-N
MW2532.50 g/mol
LogP26.14
Rot. Bonds41

About 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(2-methylpropylsulfonyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-N-propan-2-ylbenzenesulfonamide;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone

1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(2-methylpropylsulfonyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-N-propan-2-ylbenzenesulfonamide;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 162020670) has the molecular formula C132H190F3N3O25S8 and a molecular weight of 2532.50 g/mol. Its IUPAC name is 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(2-methylpropylsulfonyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-N-propan-2-ylbenzenesulfonamide;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(2-methylpropylsulfonyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-N-propan-2-ylbenzenesulfonamide;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID162020670
Molecular FormulaC132H190F3N3O25S8
Molecular Weight2532.50 g/mol
Exact Mass2530.14
IUPAC Name1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(2-methylpropylsulfonyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-N-propan-2-ylbenzenesulfonamide;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(-c3ccco3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(-c3ccno3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(C(F)(F)F)cn2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2cccc(OCC3CC3)c2)CC1.CC(C)CS(=O)(=O)c1ccc(CC(=O)C2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)NS(=O)(=O)c1cccc(CC(=O)C2CCC(CS(=O)(=O)C(C)(C)C)CC2)c1
InChIInChI=1S/C23H36O5S2.C23H30O4S.C23H34O4S.C22H35NO5S2.C22H29NO4S.C19H26F3NO3S/c1-17(2)15-29(25,26)21-12-8-18(9-13-21)14-22(24)20-10-6-19(7-11-20)16-30(27,28)23(3,4)5;1-23(2,3)28(25,26)16-18-8-10-19(11-9-18)21(24)15-17-6-12-20(13-7-17)22-5-4-14-27-22;1-23(2,3)28(25,26)16-18-9-11-20(12-10-18)22(24)14-19-5-4-6-21(13-19)27-15-17-7-8-17;1-16(2)23-30(27,28)20-8-6-7-18(13-20)14-21(24)19-11-9-17(10-12-19)15-29(25,26)22(3,4)5;1-22(2,3)28(25,26)15-17-6-8-18(9-7-17)20(24)14-16-4-10-19(11-5-16)21-12-13-23-27-21;1-18(2,3)27(25,26)12-13-4-6-14(7-5-13)17(24)10-16-9-8-15(11-23-16)19(20,21)22/h8-9,12-13,17,19-20H,6-7,10-11,14-16H2,1-5H3;4-7,12-14,18-19H,8-11,15-16H2,1-3H3;4-6,13,17-18,20H,7-12,14-16H2,1-3H3;6-8,13,16-17,19,23H,9-12,14-15H2,1-5H3;4-5,10-13,17-18H,6-9,14-15H2,1-3H3;8-9,11,13-14H,4-7,10,12H2,1-3H3
InChIKeyYURZRHRELGDQHK-UHFFFAOYSA-N
XLogP26.14
TPSA448.86 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds41
Heavy Atoms171
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002532.50
LogP ≤ 526.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Analyze 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(2-methylpropylsulfonyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-N-propan-2-ylbenzenesulfonamide;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(2-methylpropylsulfonyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-N-propan-2-ylbenzenesulfonamide;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(2-methylpropylsulfonyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-N-propan-2-ylbenzenesulfonamide;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone (CID 162020670) is 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(2-methylpropylsulfonyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-N-propan-2-ylbenzenesulfonamide;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(2-methylpropylsulfonyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-N-propan-2-ylbenzenesulfonamide;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(2-methylpropylsulfonyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-N-propan-2-ylbenzenesulfonamide;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone is CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(-c3ccco3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(-c3ccno3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(C(F)(F)F)cn2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2cccc(OCC3CC3)c2)CC1.CC(C)CS(=O)(=O)c1ccc(CC(=O)C2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)NS(=O)(=O)c1cccc(CC(=O)C2CCC(CS(=O)(=O)C(C)(C)C)CC2)c1.
What is the InChIKey of 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(2-methylpropylsulfonyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-N-propan-2-ylbenzenesulfonamide;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is YURZRHRELGDQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O5S2.C23H30O4S.C23H34O4S.C22H35NO5S2.C22H29NO4S.C19H26F3NO3S/c1-17(2)15-29(25,26)21-12-8-18(9-13-21)14-22(24)20-10-6-19(7-11-20)16-30(27,28)23(3,4)5;1-23(2,3)28(25,26)16-18-8-10-19(11-9-18)21(24)15-17-6-12-20(13-7-17)22-5-4-14-27-22;1-23(2,3)28(25,26)16-18-9-11-20(12-10-18)22(24)14-19-5-4-6-21(13-19)27-15-17-7-8-17;1-16(2)23-30(27,28)20-8-6-7-18(13-20)14-21(24)19-11-9-17(10-12-19)15-29(25,26)22(3,4)5;1-22(2,3)28(25,26)15-17-6-8-18(9-7-17)20(24)14-16-4-10-19(11-5-16)21-12-13-23-27-21;1-18(2,3)27(25,26)12-13-4-6-14(7-5-13)17(24)10-16-9-8-15(11-23-16)19(20,21)22/h8-9,12-13,17,19-20H,6-7,10-11,14-16H2,1-5H3;4-7,12-14,18-19H,8-11,15-16H2,1-3H3;4-6,13,17-18,20H,7-12,14-16H2,1-3H3;6-8,13,16-17,19,23H,9-12,14-15H2,1-5H3;4-5,10-13,17-18H,6-9,14-15H2,1-3H3;8-9,11,13-14H,4-7,10,12H2,1-3H3.
What are the key properties of 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(2-methylpropylsulfonyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-N-propan-2-ylbenzenesulfonamide;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(2-methylpropylsulfonyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-N-propan-2-ylbenzenesulfonamide;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 2532.50 g/mol, XLogP of 26.14, 41 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(cyclopropylmethoxy)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(2-methylpropylsulfonyl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,2-oxazol-5-yl)phenyl]ethanone;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]-N-propan-2-ylbenzenesulfonamide;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 162020670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).