2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene

C138H203F4N5O20S11 — CID 157434324

IUPAC2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
SMILESCC(C)S(=O)(=O)CC1CCC(CCCCc2ccc(S(N)(=O)=O)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(C(F)(F)F)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc3ncsc3c2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc3ocnc3c2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc3sccc3c2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2nnc(-c3ccc(F)cc3)s2)CC1.COc1cc(CCC2CCC(CS(=O)(=O)C(C)C)CC2)cc(OC)c1OC
InChIInChI=1S/C21H34O5S.C20H27FN2O2S2.C20H33NO4S2.C20H28O2S2.C19H27F3O2S.C19H27NO3S.C19H27NO2S2/c1-15(2)27(22,23)14-17-9-6-16(7-10-17)8-11-18-12-19(24-3)21(26-5)20(13-18)25-4;1-14(2)27(24,25)13-16-5-3-15(4-6-16)7-12-19-22-23-20(26-19)17-8-10-18(21)11-9-17;1-16(2)26(22,23)15-19-9-7-17(8-10-19)5-3-4-6-18-11-13-20(14-12-18)27(21,24)25;1-15(2)24(21,22)14-18-7-4-16(5-8-18)3-6-17-9-10-20-19(13-17)11-12-23-20;1-14(2)25(23,24)13-17-7-5-15(6-8-17)3-4-16-9-11-18(12-10-16)19(20,21)22;1-14(2)24(21,22)12-17-7-4-15(5-8-17)3-6-16-9-10-19-18(11-16)20-13-23-19;1-14(2)24(21,22)12-17-7-4-15(5-8-17)3-6-16-9-10-18-19(11-16)23-13-20-18/h12-13,15-17H,6-11,14H2,1-5H3;8-11,14-16H,3-7,12-13H2,1-2H3;11-14,16-17,19H,3-10,15H2,1-2H3,(H2,21,24,25);9-13,15-16,18H,3-8,14H2,1-2H3;9-12,14-15,17H,3-8,13H2,1-2H3;2*9-11,13-15,17H,3-8,12H2,1-2H3
InChIKeyBQXJYTMTPOBBIP-UHFFFAOYSA-N
MW2680.89 g/mol
LogP32.84
Rot. Bonds49

About 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene

2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene (PubChem CID 157434324) has the molecular formula C138H203F4N5O20S11 and a molecular weight of 2680.89 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
PubChem CID157434324
Molecular FormulaC138H203F4N5O20S11
Molecular Weight2680.89 g/mol
Exact Mass2678.19
IUPAC Name2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
SMILESCC(C)S(=O)(=O)CC1CCC(CCCCc2ccc(S(N)(=O)=O)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(C(F)(F)F)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc3ncsc3c2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc3ocnc3c2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc3sccc3c2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2nnc(-c3ccc(F)cc3)s2)CC1.COc1cc(CCC2CCC(CS(=O)(=O)C(C)C)CC2)cc(OC)c1OC
InChIInChI=1S/C21H34O5S.C20H27FN2O2S2.C20H33NO4S2.C20H28O2S2.C19H27F3O2S.C19H27NO3S.C19H27NO2S2/c1-15(2)27(22,23)14-17-9-6-16(7-10-17)8-11-18-12-19(24-3)21(26-5)20(13-18)25-4;1-14(2)27(24,25)13-16-5-3-15(4-6-16)7-12-19-22-23-20(26-19)17-8-10-18(21)11-9-17;1-16(2)26(22,23)15-19-9-7-17(8-10-19)5-3-4-6-18-11-13-20(14-12-18)27(21,24)25;1-15(2)24(21,22)14-18-7-4-16(5-8-18)3-6-17-9-10-20-19(13-17)11-12-23-20;1-14(2)25(23,24)13-17-7-5-15(6-8-17)3-4-16-9-11-18(12-10-16)19(20,21)22;1-14(2)24(21,22)12-17-7-4-15(5-8-17)3-6-16-9-10-19-18(11-16)20-13-23-19;1-14(2)24(21,22)12-17-7-4-15(5-8-17)3-6-16-9-10-18-19(11-16)23-13-20-18/h12-13,15-17H,6-11,14H2,1-5H3;8-11,14-16H,3-7,12-13H2,1-2H3;11-14,16-17,19H,3-10,15H2,1-2H3,(H2,21,24,25);9-13,15-16,18H,3-8,14H2,1-2H3;9-12,14-15,17H,3-8,13H2,1-2H3;2*9-11,13-15,17H,3-8,12H2,1-2H3
InChIKeyBQXJYTMTPOBBIP-UHFFFAOYSA-N
XLogP32.84
TPSA391.53 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds49
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002680.89
LogP ≤ 532.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene?
The IUPAC name of 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene (CID 157434324) is 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene?
The canonical SMILES for 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene is CC(C)S(=O)(=O)CC1CCC(CCCCc2ccc(S(N)(=O)=O)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(C(F)(F)F)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc3ncsc3c2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc3ocnc3c2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc3sccc3c2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2nnc(-c3ccc(F)cc3)s2)CC1.COc1cc(CCC2CCC(CS(=O)(=O)C(C)C)CC2)cc(OC)c1OC.
What is the InChIKey of 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene?
The InChIKey is BQXJYTMTPOBBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O5S.C20H27FN2O2S2.C20H33NO4S2.C20H28O2S2.C19H27F3O2S.C19H27NO3S.C19H27NO2S2/c1-15(2)27(22,23)14-17-9-6-16(7-10-17)8-11-18-12-19(24-3)21(26-5)20(13-18)25-4;1-14(2)27(24,25)13-16-5-3-15(4-6-16)7-12-19-22-23-20(26-19)17-8-10-18(21)11-9-17;1-16(2)26(22,23)15-19-9-7-17(8-10-19)5-3-4-6-18-11-13-20(14-12-18)27(21,24)25;1-15(2)24(21,22)14-18-7-4-16(5-8-18)3-6-17-9-10-20-19(13-17)11-12-23-20;1-14(2)25(23,24)13-17-7-5-15(6-8-17)3-4-16-9-11-18(12-10-16)19(20,21)22;1-14(2)24(21,22)12-17-7-4-15(5-8-17)3-6-16-9-10-19-18(11-16)20-13-23-19;1-14(2)24(21,22)12-17-7-4-15(5-8-17)3-6-16-9-10-18-19(11-16)23-13-20-18/h12-13,15-17H,6-11,14H2,1-5H3;8-11,14-16H,3-7,12-13H2,1-2H3;11-14,16-17,19H,3-10,15H2,1-2H3,(H2,21,24,25);9-13,15-16,18H,3-8,14H2,1-2H3;9-12,14-15,17H,3-8,13H2,1-2H3;2*9-11,13-15,17H,3-8,12H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene?
2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene has a molecular weight of 2680.89 g/mol, XLogP of 32.84, 49 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3,4-thiadiazole;4-[4-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;6-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1-benzothiophene;5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;1-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene;1,2,3-trimethoxy-5-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene is sourced from PubChem (CID 157434324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).