N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-diethyl-2-(4-propan-2-ylphenoxy)ethanamine;N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;ethane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;bis(1-[2-(4-propan-2-ylphenoxy)ethyl]piperazine);1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine

C160H255N15O16S4 — CID 158106979

IUPACN,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-diethyl-2-(4-propan-2-ylphenoxy)ethanamine;N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;ethane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;bis(1-[2-(4-propan-2-ylphenoxy)ethyl]piperazine);1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine
SMILESCC.CC(C)c1ccc(OCCN(C)C)cc1.CC(C)c1ccc(OCCN2CCCC2)cc1.CC(C)c1ccc(OCCN2CCCCC2)cc1.CC(C)c1ccc(OCCN2CCNCC2)cc1.CC(C)c1ccc(OCCN2CCNCC2)cc1.CC(C)c1ccc(OCCN2CCOCC2)cc1.CC(C)c1ccc(S(=O)(=O)C2CCNCC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCNCC2)cc1.CCN(CC)CCOc1ccc(C(C)C)cc1.CCN(CC)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H25NO.2C15H24N2O.C15H23NO2.C15H23NO.C15H25NO.C14H22N2O2S.C14H21NO2S.C13H20N2O2S.C13H21NO2S.C13H21NO.C2H6/c1-14(2)15-6-8-16(9-7-15)18-13-12-17-10-4-3-5-11-17;2*1-13(2)14-3-5-15(6-4-14)18-12-11-17-9-7-16-8-10-17;1-13(2)14-3-5-15(6-4-14)18-12-9-16-7-10-17-11-8-16;1-13(2)14-5-7-15(8-6-14)17-12-11-16-9-3-4-10-16;1-5-16(6-2)11-12-17-15-9-7-14(8-10-15)13(3)4;1-12(2)13-4-6-14(7-5-13)19(17,18)16-10-8-15(3)9-11-16;1-11(2)12-3-5-13(6-4-12)18(16,17)14-7-9-15-10-8-14;1-11(2)12-3-5-13(6-4-12)18(16,17)15-9-7-14-8-10-15;1-5-14(6-2)17(15,16)13-9-7-12(8-10-13)11(3)4;1-11(2)12-5-7-13(8-6-12)15-10-9-14(3)4;1-2/h6-9,14H,3-5,10-13H2,1-2H3;2*3-6,13,16H,7-12H2,1-2H3;3-6,13H,7-12H2,1-2H3;5-8,13H,3-4,9-12H2,1-2H3;7-10,13H,5-6,11-12H2,1-4H3;4-7,12H,8-11H2,1-3H3;3-6,11,14-15H,7-10H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;7-11H,5-6H2,1-4H3;5-8,11H,9-10H2,1-4H3;1-2H3
InChIKeyFPYMWXCEPCSGHK-UHFFFAOYSA-N
MW2773.16 g/mol
LogP29.30
Rot. Bonds51

About N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-diethyl-2-(4-propan-2-ylphenoxy)ethanamine;N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;ethane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;bis(1-[2-(4-propan-2-ylphenoxy)ethyl]piperazine);1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine

N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-diethyl-2-(4-propan-2-ylphenoxy)ethanamine;N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;ethane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;bis(1-[2-(4-propan-2-ylphenoxy)ethyl]piperazine);1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine (PubChem CID 158106979) has the molecular formula C160H255N15O16S4 and a molecular weight of 2773.16 g/mol. Its IUPAC name is N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-diethyl-2-(4-propan-2-ylphenoxy)ethanamine;N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;ethane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;bis(1-[2-(4-propan-2-ylphenoxy)ethyl]piperazine);1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine.

Molecular Properties

Compound NameN,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-diethyl-2-(4-propan-2-ylphenoxy)ethanamine;N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;ethane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;bis(1-[2-(4-propan-2-ylphenoxy)ethyl]piperazine);1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine
PubChem CID158106979
Molecular FormulaC160H255N15O16S4
Molecular Weight2773.16 g/mol
Exact Mass2770.85
IUPAC NameN,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-diethyl-2-(4-propan-2-ylphenoxy)ethanamine;N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;ethane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;bis(1-[2-(4-propan-2-ylphenoxy)ethyl]piperazine);1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine
SMILESCC.CC(C)c1ccc(OCCN(C)C)cc1.CC(C)c1ccc(OCCN2CCCC2)cc1.CC(C)c1ccc(OCCN2CCCCC2)cc1.CC(C)c1ccc(OCCN2CCNCC2)cc1.CC(C)c1ccc(OCCN2CCNCC2)cc1.CC(C)c1ccc(OCCN2CCOCC2)cc1.CC(C)c1ccc(S(=O)(=O)C2CCNCC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCNCC2)cc1.CCN(CC)CCOc1ccc(C(C)C)cc1.CCN(CC)S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H25NO.2C15H24N2O.C15H23NO2.C15H23NO.C15H25NO.C14H22N2O2S.C14H21NO2S.C13H20N2O2S.C13H21NO2S.C13H21NO.C2H6/c1-14(2)15-6-8-16(9-7-15)18-13-12-17-10-4-3-5-11-17;2*1-13(2)14-3-5-15(6-4-14)18-12-11-17-9-7-16-8-10-17;1-13(2)14-3-5-15(6-4-14)18-12-9-16-7-10-17-11-8-16;1-13(2)14-5-7-15(8-6-14)17-12-11-16-9-3-4-10-16;1-5-16(6-2)11-12-17-15-9-7-14(8-10-15)13(3)4;1-12(2)13-4-6-14(7-5-13)19(17,18)16-10-8-15(3)9-11-16;1-11(2)12-3-5-13(6-4-12)18(16,17)14-7-9-15-10-8-14;1-11(2)12-3-5-13(6-4-12)18(16,17)15-9-7-14-8-10-15;1-5-14(6-2)17(15,16)13-9-7-12(8-10-13)11(3)4;1-11(2)12-5-7-13(8-6-12)15-10-9-14(3)4;1-2/h6-9,14H,3-5,10-13H2,1-2H3;2*3-6,13,16H,7-12H2,1-2H3;3-6,13H,7-12H2,1-2H3;5-8,13H,3-4,9-12H2,1-2H3;7-10,13H,5-6,11-12H2,1-4H3;4-7,12H,8-11H2,1-3H3;3-6,11,14-15H,7-10H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;7-11H,5-6H2,1-4H3;5-8,11H,9-10H2,1-4H3;1-2H3
InChIKeyFPYMWXCEPCSGHK-UHFFFAOYSA-N
XLogP29.30
TPSA294.16 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds51
Heavy Atoms195
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002773.16
LogP ≤ 529.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-diethyl-2-(4-propan-2-ylphenoxy)ethanamine;N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;ethane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;bis(1-[2-(4-propan-2-ylphenoxy)ethyl]piperazine);1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-diethyl-2-(4-propan-2-ylphenoxy)ethanamine;N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;ethane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;bis(1-[2-(4-propan-2-ylphenoxy)ethyl]piperazine);1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine?
The IUPAC name of N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-diethyl-2-(4-propan-2-ylphenoxy)ethanamine;N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;ethane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;bis(1-[2-(4-propan-2-ylphenoxy)ethyl]piperazine);1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine (CID 158106979) is N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-diethyl-2-(4-propan-2-ylphenoxy)ethanamine;N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;ethane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;bis(1-[2-(4-propan-2-ylphenoxy)ethyl]piperazine);1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine.
What is the SMILES notation for N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-diethyl-2-(4-propan-2-ylphenoxy)ethanamine;N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;ethane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;bis(1-[2-(4-propan-2-ylphenoxy)ethyl]piperazine);1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine?
The canonical SMILES for N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-diethyl-2-(4-propan-2-ylphenoxy)ethanamine;N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;ethane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;bis(1-[2-(4-propan-2-ylphenoxy)ethyl]piperazine);1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine is CC.CC(C)c1ccc(OCCN(C)C)cc1.CC(C)c1ccc(OCCN2CCCC2)cc1.CC(C)c1ccc(OCCN2CCCCC2)cc1.CC(C)c1ccc(OCCN2CCNCC2)cc1.CC(C)c1ccc(OCCN2CCNCC2)cc1.CC(C)c1ccc(OCCN2CCOCC2)cc1.CC(C)c1ccc(S(=O)(=O)C2CCNCC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCNCC2)cc1.CCN(CC)CCOc1ccc(C(C)C)cc1.CCN(CC)S(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-diethyl-2-(4-propan-2-ylphenoxy)ethanamine;N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;ethane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;bis(1-[2-(4-propan-2-ylphenoxy)ethyl]piperazine);1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine?
The InChIKey is FPYMWXCEPCSGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.2C15H24N2O.C15H23NO2.C15H23NO.C15H25NO.C14H22N2O2S.C14H21NO2S.C13H20N2O2S.C13H21NO2S.C13H21NO.C2H6/c1-14(2)15-6-8-16(9-7-15)18-13-12-17-10-4-3-5-11-17;2*1-13(2)14-3-5-15(6-4-14)18-12-11-17-9-7-16-8-10-17;1-13(2)14-3-5-15(6-4-14)18-12-9-16-7-10-17-11-8-16;1-13(2)14-5-7-15(8-6-14)17-12-11-16-9-3-4-10-16;1-5-16(6-2)11-12-17-15-9-7-14(8-10-15)13(3)4;1-12(2)13-4-6-14(7-5-13)19(17,18)16-10-8-15(3)9-11-16;1-11(2)12-3-5-13(6-4-12)18(16,17)14-7-9-15-10-8-14;1-11(2)12-3-5-13(6-4-12)18(16,17)15-9-7-14-8-10-15;1-5-14(6-2)17(15,16)13-9-7-12(8-10-13)11(3)4;1-11(2)12-5-7-13(8-6-12)15-10-9-14(3)4;1-2/h6-9,14H,3-5,10-13H2,1-2H3;2*3-6,13,16H,7-12H2,1-2H3;3-6,13H,7-12H2,1-2H3;5-8,13H,3-4,9-12H2,1-2H3;7-10,13H,5-6,11-12H2,1-4H3;4-7,12H,8-11H2,1-3H3;3-6,11,14-15H,7-10H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;7-11H,5-6H2,1-4H3;5-8,11H,9-10H2,1-4H3;1-2H3.
What are the key properties of N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-diethyl-2-(4-propan-2-ylphenoxy)ethanamine;N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;ethane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;bis(1-[2-(4-propan-2-ylphenoxy)ethyl]piperazine);1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine?
N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-diethyl-2-(4-propan-2-ylphenoxy)ethanamine;N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;ethane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;bis(1-[2-(4-propan-2-ylphenoxy)ethyl]piperazine);1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine has a molecular weight of 2773.16 g/mol, XLogP of 29.30, 51 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-diethyl-2-(4-propan-2-ylphenoxy)ethanamine;N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;ethane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;bis(1-[2-(4-propan-2-ylphenoxy)ethyl]piperazine);1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine is sourced from PubChem (CID 158106979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).