1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-cyclopentyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(1,3-oxazol-2-yl)phenyl]ethanone

C136H173N3O26S8 — CID 158245523

IUPAC1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-cyclopentyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(1,3-oxazol-2-yl)phenyl]ethanone
SMILESCC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(N3CCCS3(=O)=O)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2cccc(-c3ccco3)c2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2cccc(N3CCCS3(=O)=O)c2)CC1.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(-c3ccco3)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(-c3ncco3)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(OC3CCCC3)cc2)cc1
InChIInChI=1S/C24H30O4S.C23H30O4S.C23H24O4S.2C22H33NO5S2.C22H23NO4S/c1-24(2,3)29(26,27)17-19-8-12-20(13-9-19)23(25)16-18-10-14-22(15-11-18)28-21-6-4-5-7-21;1-23(2,3)28(25,26)16-17-9-11-19(12-10-17)21(24)15-18-6-4-7-20(14-18)22-8-5-13-27-22;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;1-22(2,3)29(25,26)16-18-5-9-19(10-6-18)21(24)15-17-7-11-20(12-8-17)23-13-4-14-30(23,27)28;1-22(2,3)29(25,26)16-17-8-10-19(11-9-17)21(24)15-18-6-4-7-20(14-18)23-12-5-13-30(23,27)28;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)21-23-12-13-27-21/h8-15,21H,4-7,16-17H2,1-3H3;4-8,13-14,17,19H,9-12,15-16H2,1-3H3;4-14H,15-16H2,1-3H3;7-8,11-12,18-19H,4-6,9-10,13-16H2,1-3H3;4,6-7,14,17,19H,5,8-13,15-16H2,1-3H3;4-13H,14-15H2,1-3H3
InChIKeyGGBMMNAKIPPLIE-UHFFFAOYSA-N
MW2522.41 g/mol
LogP26.51
Rot. Bonds37

About 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-cyclopentyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(1,3-oxazol-2-yl)phenyl]ethanone

1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-cyclopentyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(1,3-oxazol-2-yl)phenyl]ethanone (PubChem CID 158245523) has the molecular formula C136H173N3O26S8 and a molecular weight of 2522.41 g/mol. Its IUPAC name is 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-cyclopentyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(1,3-oxazol-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-cyclopentyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(1,3-oxazol-2-yl)phenyl]ethanone
PubChem CID158245523
Molecular FormulaC136H173N3O26S8
Molecular Weight2522.41 g/mol
Exact Mass2520.01
IUPAC Name1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-cyclopentyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(1,3-oxazol-2-yl)phenyl]ethanone
SMILESCC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(N3CCCS3(=O)=O)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2cccc(-c3ccco3)c2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2cccc(N3CCCS3(=O)=O)c2)CC1.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(-c3ccco3)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(-c3ncco3)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(OC3CCCC3)cc2)cc1
InChIInChI=1S/C24H30O4S.C23H30O4S.C23H24O4S.2C22H33NO5S2.C22H23NO4S/c1-24(2,3)29(26,27)17-19-8-12-20(13-9-19)23(25)16-18-10-14-22(15-11-18)28-21-6-4-5-7-21;1-23(2,3)28(25,26)16-17-9-11-19(12-10-17)21(24)15-18-6-4-7-20(14-18)22-8-5-13-27-22;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;1-22(2,3)29(25,26)16-18-5-9-19(10-6-18)21(24)15-17-7-11-20(12-8-17)23-13-4-14-30(23,27)28;1-22(2,3)29(25,26)16-17-8-10-19(11-9-17)21(24)15-18-6-4-7-20(14-18)23-12-5-13-30(23,27)28;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)21-23-12-13-27-21/h8-15,21H,4-7,16-17H2,1-3H3;4-8,13-14,17,19H,9-12,15-16H2,1-3H3;4-14H,15-16H2,1-3H3;7-8,11-12,18-19H,4-6,9-10,13-16H2,1-3H3;4,6-7,14,17,19H,5,8-13,15-16H2,1-3H3;4-13H,14-15H2,1-3H3
InChIKeyGGBMMNAKIPPLIE-UHFFFAOYSA-N
XLogP26.51
TPSA443.56 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds37
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002522.41
LogP ≤ 526.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-cyclopentyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(1,3-oxazol-2-yl)phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-cyclopentyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(1,3-oxazol-2-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-cyclopentyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(1,3-oxazol-2-yl)phenyl]ethanone (CID 158245523) is 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-cyclopentyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(1,3-oxazol-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-cyclopentyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(1,3-oxazol-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-cyclopentyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(1,3-oxazol-2-yl)phenyl]ethanone is CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(N3CCCS3(=O)=O)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2cccc(-c3ccco3)c2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2cccc(N3CCCS3(=O)=O)c2)CC1.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(-c3ccco3)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(-c3ncco3)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(C(=O)Cc2ccc(OC3CCCC3)cc2)cc1.
What is the InChIKey of 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-cyclopentyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(1,3-oxazol-2-yl)phenyl]ethanone?
The InChIKey is GGBMMNAKIPPLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O4S.C23H30O4S.C23H24O4S.2C22H33NO5S2.C22H23NO4S/c1-24(2,3)29(26,27)17-19-8-12-20(13-9-19)23(25)16-18-10-14-22(15-11-18)28-21-6-4-5-7-21;1-23(2,3)28(25,26)16-17-9-11-19(12-10-17)21(24)15-18-6-4-7-20(14-18)22-8-5-13-27-22;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;1-22(2,3)29(25,26)16-18-5-9-19(10-6-18)21(24)15-17-7-11-20(12-8-17)23-13-4-14-30(23,27)28;1-22(2,3)29(25,26)16-17-8-10-19(11-9-17)21(24)15-18-6-4-7-20(14-18)23-12-5-13-30(23,27)28;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)21-23-12-13-27-21/h8-15,21H,4-7,16-17H2,1-3H3;4-8,13-14,17,19H,9-12,15-16H2,1-3H3;4-14H,15-16H2,1-3H3;7-8,11-12,18-19H,4-6,9-10,13-16H2,1-3H3;4,6-7,14,17,19H,5,8-13,15-16H2,1-3H3;4-13H,14-15H2,1-3H3.
What are the key properties of 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-cyclopentyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(1,3-oxazol-2-yl)phenyl]ethanone?
1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-cyclopentyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(1,3-oxazol-2-yl)phenyl]ethanone has a molecular weight of 2522.41 g/mol, XLogP of 26.51, 37 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[3-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-(4-cyclopentyloxyphenyl)ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(furan-2-yl)phenyl]ethanone;1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-(1,3-oxazol-2-yl)phenyl]ethanone is sourced from PubChem (CID 158245523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).