2-[2,6-di(propan-2-yl)phenyl]-N-methyl-N-[2-(methylamino)cyclohexyl]ethanesulfonamide

C22H38N2O2S — CID 70841705

IUPAC2-[2,6-di(propan-2-yl)phenyl]-N-methyl-N-[2-(methylamino)cyclohexyl]ethanesulfonamide
SMILESCNC1CCCCC1N(C)S(=O)(=O)CCc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C22H38N2O2S/c1-16(2)18-10-9-11-19(17(3)4)20(18)14-15-27(25,26)24(6)22-13-8-7-12-21(22)23-5/h9-11,16-17,21-23H,7-8,12-15H2,1-6H3
InChIKeyNZBIOXJZVCMQAU-UHFFFAOYSA-N
MW394.63 g/mol
LogP4.27
Rot. Bonds8

About 2-[2,6-di(propan-2-yl)phenyl]-N-methyl-N-[2-(methylamino)cyclohexyl]ethanesulfonamide

2-[2,6-di(propan-2-yl)phenyl]-N-methyl-N-[2-(methylamino)cyclohexyl]ethanesulfonamide (PubChem CID 70841705) has the molecular formula C22H38N2O2S and a molecular weight of 394.63 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)phenyl]-N-methyl-N-[2-(methylamino)cyclohexyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)phenyl]-N-methyl-N-[2-(methylamino)cyclohexyl]ethanesulfonamide
PubChem CID70841705
Molecular FormulaC22H38N2O2S
Molecular Weight394.63 g/mol
Exact Mass394.27
IUPAC Name2-[2,6-di(propan-2-yl)phenyl]-N-methyl-N-[2-(methylamino)cyclohexyl]ethanesulfonamide
SMILESCNC1CCCCC1N(C)S(=O)(=O)CCc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C22H38N2O2S/c1-16(2)18-10-9-11-19(17(3)4)20(18)14-15-27(25,26)24(6)22-13-8-7-12-21(22)23-5/h9-11,16-17,21-23H,7-8,12-15H2,1-6H3
InChIKeyNZBIOXJZVCMQAU-UHFFFAOYSA-N
XLogP4.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.63
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanesulfonic acid biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-amide
CID 44578267
Propane-1-sulfonic acid biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-amide
CID 44578268
Propane-2-sulfonic acid biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-amide
CID 44578314
N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide
CID 45479967
Propane-2-sulfonic acid (trans-4-biphenyl-4-yl-1-ethyl-piperidin-3-yl)-amide
CID 52945565
N-[3-[8-benzyl-7-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide
CID 57467343
N-[3-[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide
CID 57471374
N-[3-[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
CID 57471376
US10233152, Example 39
CID 129279684
1-[(3,4-dimethylbenzyl)sulfonyl]-4-tetrahydro-1H-pyrrol-3-ylpiperidine
CID 91910162
N-(2-(dimethylamino)-2-phenylethyl)-1-(m-tolyl)methanesulfonamide
CID 45564952
N-[(1R,2R)-2-aminocyclohexyl]-2-phenylethanesulfonamide
CID 50941630

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]-N-methyl-N-[2-(methylamino)cyclohexyl]ethanesulfonamide?
The IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]-N-methyl-N-[2-(methylamino)cyclohexyl]ethanesulfonamide (CID 70841705) is 2-[2,6-di(propan-2-yl)phenyl]-N-methyl-N-[2-(methylamino)cyclohexyl]ethanesulfonamide.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)phenyl]-N-methyl-N-[2-(methylamino)cyclohexyl]ethanesulfonamide?
The canonical SMILES for 2-[2,6-di(propan-2-yl)phenyl]-N-methyl-N-[2-(methylamino)cyclohexyl]ethanesulfonamide is CNC1CCCCC1N(C)S(=O)(=O)CCc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-[2,6-di(propan-2-yl)phenyl]-N-methyl-N-[2-(methylamino)cyclohexyl]ethanesulfonamide?
The InChIKey is NZBIOXJZVCMQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O2S/c1-16(2)18-10-9-11-19(17(3)4)20(18)14-15-27(25,26)24(6)22-13-8-7-12-21(22)23-5/h9-11,16-17,21-23H,7-8,12-15H2,1-6H3.
What are the key properties of 2-[2,6-di(propan-2-yl)phenyl]-N-methyl-N-[2-(methylamino)cyclohexyl]ethanesulfonamide?
2-[2,6-di(propan-2-yl)phenyl]-N-methyl-N-[2-(methylamino)cyclohexyl]ethanesulfonamide has a molecular weight of 394.63 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)phenyl]-N-methyl-N-[2-(methylamino)cyclohexyl]ethanesulfonamide is sourced from PubChem (CID 70841705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).