N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide

C13H21NO3S — CID 110788053

IUPACN-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1cc(C)c(C)cc1OC
InChIInChI=1S/C13H21NO3S/c1-5-18(15,16)14-7-6-12-8-10(2)11(3)9-13(12)17-4/h8-9,14H,5-7H2,1-4H3
InChIKeyRZPBKASEYBWFRM-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.79
Rot. Bonds6

About N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide

N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide (PubChem CID 110788053) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide
PubChem CID110788053
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1cc(C)c(C)cc1OC
InChIInChI=1S/C13H21NO3S/c1-5-18(15,16)14-7-6-12-8-10(2)11(3)9-13(12)17-4/h8-9,14H,5-7H2,1-4H3
InChIKeyRZPBKASEYBWFRM-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-tert-butyl-4-methoxy-2-methylphenyl)ethyl]ethanesulfonamide
CID 110788400
N-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide
CID 110783168
2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
CID 115171106
N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide
CID 47429985
2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde
CID 115223198
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 110789678
2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine
CID 98783839
N-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide
CID 110787933
N-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl]propane-1-sulfonamide
CID 110789542
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787472
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide
CID 110781255
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]propane-1-sulfonamide
CID 110789714

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide (CID 110788053) is N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1cc(C)c(C)cc1OC.
What is the InChIKey of N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide?
The InChIKey is RZPBKASEYBWFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-5-18(15,16)14-7-6-12-8-10(2)11(3)9-13(12)17-4/h8-9,14H,5-7H2,1-4H3.
What are the key properties of N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide?
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 110788053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).