1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrazole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide

C123H180N8O11S5 — CID 157078912

IUPAC1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrazole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(-n3ccc4ccccc43)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(-n3cccn3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CCC(N)C3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CCC[C@H]3C(N)=O)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CCc4ccccc43)cc2)CC1
InChIInChI=1S/C27H37NO2S.C27H35NO2S.C24H38N2O3S.C23H38N2O2S.C22H32N2O2S/c2*1-27(2,3)31(29,30)20-23-12-10-21(11-13-23)8-9-22-14-16-25(17-15-22)28-19-18-24-6-4-5-7-26(24)28;1-24(2,3)30(28,29)17-20-10-8-18(9-11-20)6-7-19-12-14-21(15-13-19)26-16-4-5-22(26)23(25)27;1-23(2,3)28(26,27)17-20-8-6-18(7-9-20)4-5-19-10-12-22(13-11-19)25-15-14-21(24)16-25;1-22(2,3)27(25,26)17-20-9-7-18(8-10-20)5-6-19-11-13-21(14-12-19)24-16-4-15-23-24/h4-7,14-17,21,23H,8-13,18-20H2,1-3H3;4-7,14-19,21,23H,8-13,20H2,1-3H3;12-15,18,20,22H,4-11,16-17H2,1-3H3,(H2,25,27);10-13,18,20-21H,4-9,14-17,24H2,1-3H3;4,11-16,18,20H,5-10,17H2,1-3H3/t;;18?,20?,22-;;/m..0../s1
InChIKeyADHKMXGBHFIBLJ-NLKDWEGWSA-N
MW2107.17 g/mol
LogP26.01
Rot. Bonds31

About 1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrazole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide

1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrazole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 157078912) has the molecular formula C123H180N8O11S5 and a molecular weight of 2107.17 g/mol. Its IUPAC name is 1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrazole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrazole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID157078912
Molecular FormulaC123H180N8O11S5
Molecular Weight2107.17 g/mol
Exact Mass2105.24
IUPAC Name1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrazole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(-n3ccc4ccccc43)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(-n3cccn3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CCC(N)C3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CCC[C@H]3C(N)=O)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CCc4ccccc43)cc2)CC1
InChIInChI=1S/C27H37NO2S.C27H35NO2S.C24H38N2O3S.C23H38N2O2S.C22H32N2O2S/c2*1-27(2,3)31(29,30)20-23-12-10-21(11-13-23)8-9-22-14-16-25(17-15-22)28-19-18-24-6-4-5-7-26(24)28;1-24(2,3)30(28,29)17-20-10-8-18(9-11-20)6-7-19-12-14-21(15-13-19)26-16-4-5-22(26)23(25)27;1-23(2,3)28(26,27)17-20-8-6-18(7-9-20)4-5-19-10-12-22(13-11-19)25-15-14-21(24)16-25;1-22(2,3)27(25,26)17-20-9-7-18(8-10-20)5-6-19-11-13-21(14-12-19)24-16-4-15-23-24/h4-7,14-17,21,23H,8-13,18-20H2,1-3H3;4-7,14-19,21,23H,8-13,20H2,1-3H3;12-15,18,20,22H,4-11,16-17H2,1-3H3,(H2,25,27);10-13,18,20-21H,4-9,14-17,24H2,1-3H3;4,11-16,18,20H,5-10,17H2,1-3H3/t;;18?,20?,22-;;/m..0../s1
InChIKeyADHKMXGBHFIBLJ-NLKDWEGWSA-N
XLogP26.01
TPSA272.28 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds31
Heavy Atoms147
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002107.17
LogP ≤ 526.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrazole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrazole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrazole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide (CID 157078912) is 1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrazole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrazole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrazole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide is CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(-n3ccc4ccccc43)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(-n3cccn3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CCC(N)C3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CCC[C@H]3C(N)=O)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CCc4ccccc43)cc2)CC1.
What is the InChIKey of 1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrazole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is ADHKMXGBHFIBLJ-NLKDWEGWSA-N. The full InChI is InChI=1S/C27H37NO2S.C27H35NO2S.C24H38N2O3S.C23H38N2O2S.C22H32N2O2S/c2*1-27(2,3)31(29,30)20-23-12-10-21(11-13-23)8-9-22-14-16-25(17-15-22)28-19-18-24-6-4-5-7-26(24)28;1-24(2,3)30(28,29)17-20-10-8-18(9-11-20)6-7-19-12-14-21(15-13-19)26-16-4-5-22(26)23(25)27;1-23(2,3)28(26,27)17-20-8-6-18(7-9-20)4-5-19-10-12-22(13-11-19)25-15-14-21(24)16-25;1-22(2,3)27(25,26)17-20-9-7-18(8-10-20)5-6-19-11-13-21(14-12-19)24-16-4-15-23-24/h4-7,14-17,21,23H,8-13,18-20H2,1-3H3;4-7,14-19,21,23H,8-13,20H2,1-3H3;12-15,18,20,22H,4-11,16-17H2,1-3H3,(H2,25,27);10-13,18,20-21H,4-9,14-17,24H2,1-3H3;4,11-16,18,20H,5-10,17H2,1-3H3/t;;18?,20?,22-;;/m..0../s1.
What are the key properties of 1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrazole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide?
1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrazole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 2107.17 g/mol, XLogP of 26.01, 31 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrazole;1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine;(2S)-1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 157078912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).