N-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide

C12H19NO4S — CID 110783168

IUPACN-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cc(OC)c(C)cc1OC
InChIInChI=1S/C12H19NO4S/c1-5-18(14,15)13-8-10-7-11(16-3)9(2)6-12(10)17-4/h6-7,13H,5,8H2,1-4H3
InChIKeyAPIKHGURDBPGFJ-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.45
Rot. Bonds6

About N-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide

N-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide (PubChem CID 110783168) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide
PubChem CID110783168
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cc(OC)c(C)cc1OC
InChIInChI=1S/C12H19NO4S/c1-5-18(14,15)13-8-10-7-11(16-3)9(2)6-12(10)17-4/h6-7,13H,5,8H2,1-4H3
InChIKeyAPIKHGURDBPGFJ-UHFFFAOYSA-N
XLogP1.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide
CID 110781255
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide
CID 110788053
N-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 110783185
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]butane-1-sulfonamide
CID 110781854
1-[(dimethylsulfamoylamino)methyl]-4-methoxy-2,5-dimethylbenzene
CID 110780838
N-[(2,5-dimethoxy-4-methylphenyl)methyl]propan-2-amine
CID 95446206
N-[(2,5-dimethoxy-4-methylphenyl)methyl]carbamoyl chloride
CID 115194658
2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
CID 115179871
1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
CID 4096780
N-[2-(5-tert-butyl-4-methoxy-2-methylphenyl)ethyl]ethanesulfonamide
CID 110788400
N-[(5-bromo-2-methoxyphenyl)methyl]propane-1-sulfonamide
CID 49244750
N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3,3-dimethylbutanamide
CID 110783154

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide?
The IUPAC name of N-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide (CID 110783168) is N-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1cc(OC)c(C)cc1OC.
What is the InChIKey of N-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide?
The InChIKey is APIKHGURDBPGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-5-18(14,15)13-8-10-7-11(16-3)9(2)6-12(10)17-4/h6-7,13H,5,8H2,1-4H3.
What are the key properties of N-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide?
N-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 110783168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).