N-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide

C13H20N2O4S — CID 112998937

IUPACN-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide
SMILESCCCS(=O)(=O)NCC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C13H20N2O4S/c1-4-7-20(17,18)14-9-13(16)15-11-8-10(2)5-6-12(11)19-3/h5-6,8,14H,4,7,9H2,1-3H3,(H,15,16)
InChIKeyHRFSIDNKZBGXEJ-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.27
Rot. Bonds7

About N-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide

N-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide (PubChem CID 112998937) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide
PubChem CID112998937
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide
SMILESCCCS(=O)(=O)NCC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C13H20N2O4S/c1-4-7-20(17,18)14-9-13(16)15-11-8-10(2)5-6-12(11)19-3/h5-6,8,14H,4,7,9H2,1-3H3,(H,15,16)
InChIKeyHRFSIDNKZBGXEJ-UHFFFAOYSA-N
XLogP1.27
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide
CID 112998959
N-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide
CID 112998367
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113000933
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147585
2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide
CID 112999249
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383211
3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 109012484

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide (CID 112998937) is N-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide is CCCS(=O)(=O)NCC(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide?
The InChIKey is HRFSIDNKZBGXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-7-20(17,18)14-9-13(16)15-11-8-10(2)5-6-12(11)19-3/h5-6,8,14H,4,7,9H2,1-3H3,(H,15,16).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide?
N-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide has a molecular weight of 300.38 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide is sourced from PubChem (CID 112998937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).