N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide

C14H22N2O4S — CID 113147585

IUPACN-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1cc(C)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-5-8-16(21(4,18)19)10-14(17)15-12-9-11(2)6-7-13(12)20-3/h6-7,9H,5,8,10H2,1-4H3,(H,15,17)
InChIKeyFVISAEIOOYTIQC-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.61
Rot. Bonds7

About N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide

N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide (PubChem CID 113147585) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
PubChem CID113147585
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1cc(C)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-5-8-16(21(4,18)19)10-14(17)15-12-9-11(2)6-7-13(12)20-3/h6-7,9H,5,8,10H2,1-4H3,(H,15,17)
InChIKeyFVISAEIOOYTIQC-UHFFFAOYSA-N
XLogP1.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7354164
2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113152094
N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147778
N-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153482
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781520
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 45372136
2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113148373
N-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide
CID 112998937
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 45372185
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2279014

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide (CID 113147585) is N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide is CCCN(CC(=O)Nc1cc(C)ccc1OC)S(C)(=O)=O.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide?
The InChIKey is FVISAEIOOYTIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-5-8-16(21(4,18)19)10-14(17)15-12-9-11(2)6-7-13(12)20-3/h6-7,9H,5,8,10H2,1-4H3,(H,15,17).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide has a molecular weight of 314.41 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide is sourced from PubChem (CID 113147585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).