N-[2-(3,4-dimethoxyphenyl)propan-2-yl]methanesulfonamide

C12H19NO4S — CID 110441258

IUPACN-[2-(3,4-dimethoxyphenyl)propan-2-yl]methanesulfonamide
SMILESCOc1ccc(C(C)(C)NS(C)(=O)=O)cc1OC
InChIInChI=1S/C12H19NO4S/c1-12(2,13-18(5,14)15)9-6-7-10(16-3)11(8-9)17-4/h6-8,13H,1-5H3
InChIKeyPGHLWJMYAGAZPF-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.49
Rot. Bonds5

About N-[2-(3,4-dimethoxyphenyl)propan-2-yl]methanesulfonamide

N-[2-(3,4-dimethoxyphenyl)propan-2-yl]methanesulfonamide (PubChem CID 110441258) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)propan-2-yl]methanesulfonamide
PubChem CID110441258
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-[2-(3,4-dimethoxyphenyl)propan-2-yl]methanesulfonamide
SMILESCOc1ccc(C(C)(C)NS(C)(=O)=O)cc1OC
InChIInChI=1S/C12H19NO4S/c1-12(2,13-18(5,14)15)9-6-7-10(16-3)11(8-9)17-4/h6-8,13H,1-5H3
InChIKeyPGHLWJMYAGAZPF-UHFFFAOYSA-N
XLogP1.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide
CID 113091545
3-chloro-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]benzenesulfonamide
CID 113091569
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110441193
2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110459405
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-(methylamino)acetamide
CID 110460450
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide
CID 113091518
N-tert-butyl-3,4-dimethoxybenzenesulfonamide
CID 795187
2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 113216584
N-[(1S)-1-cyano-1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 15981829
4-[2-[4-[4-[4-[4-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-methoxyphenoxy]phenyl]sulfonylphenoxy]-3-methoxyphenyl]propan-2-yl]-1,2-dimethoxybenzene
CID 164841717
2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117362849

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]methanesulfonamide (CID 110441258) is N-[2-(3,4-dimethoxyphenyl)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)propan-2-yl]methanesulfonamide is COc1ccc(C(C)(C)NS(C)(=O)=O)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]methanesulfonamide?
The InChIKey is PGHLWJMYAGAZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-12(2,13-18(5,14)15)9-6-7-10(16-3)11(8-9)17-4/h6-8,13H,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]methanesulfonamide?
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]methanesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 110441258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).