N-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide

C15H25NO2S — CID 110787933

IUPACN-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C15H25NO2S/c1-6-19(17,18)16-10-9-13-11-14(15(3,4)5)8-7-12(13)2/h7-8,11,16H,6,9-10H2,1-5H3
InChIKeyZVNOHNGNALWRQV-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.77
Rot. Bonds5

About N-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide

N-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide (PubChem CID 110787933) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide
PubChem CID110787933
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C15H25NO2S/c1-6-19(17,18)16-10-9-13-11-14(15(3,4)5)8-7-12(13)2/h7-8,11,16H,6,9-10H2,1-5H3
InChIKeyZVNOHNGNALWRQV-UHFFFAOYSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide
CID 110787932
2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine
CID 82126383
N-[2-(5-tert-butyl-4-methoxy-2-methylphenyl)ethyl]ethanesulfonamide
CID 110788400
N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide
CID 47429985
N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine
CID 115227143
[2-(5-tert-butyl-2-methylphenyl)ethylamino]methanol
CID 115229280
2-[2-(5-tert-butyl-2-methylphenyl)ethylamino]ethanethiol
CID 115224198
2-[2-(5-tert-butyl-2-methylphenyl)ethylamino]acetonitrile
CID 115131196
N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylethane-1,2-diamine
CID 115195966
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide
CID 110788053
3-[2-(5-tert-butyl-2-methylphenyl)ethylamino]propanoic acid
CID 115005536
1-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]propane-1,2-diamine
CID 115196764

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide (CID 110787933) is N-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1cc(C(C)(C)C)ccc1C.
What is the InChIKey of N-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide?
The InChIKey is ZVNOHNGNALWRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-6-19(17,18)16-10-9-13-11-14(15(3,4)5)8-7-12(13)2/h7-8,11,16H,6,9-10H2,1-5H3.
What are the key properties of N-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide?
N-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide has a molecular weight of 283.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 110787933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).