N-(5-amino-2-methoxyphenyl)-2-(2-methylbutylsulfinyl)acetamide

C14H22N2O3S — CID 107753805

IUPACN-(5-amino-2-methoxyphenyl)-2-(2-methylbutylsulfinyl)acetamide
SMILESCCC(C)CS(=O)CC(=O)Nc1cc(N)ccc1OC
InChIInChI=1S/C14H22N2O3S/c1-4-10(2)8-20(18)9-14(17)16-12-7-11(15)5-6-13(12)19-3/h5-7,10H,4,8-9,15H2,1-3H3,(H,16,17)
InChIKeyXUHQEYDAJMDFFJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.01
Rot. Bonds7

About N-(5-amino-2-methoxyphenyl)-2-(2-methylbutylsulfinyl)acetamide

N-(5-amino-2-methoxyphenyl)-2-(2-methylbutylsulfinyl)acetamide (PubChem CID 107753805) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2-(2-methylbutylsulfinyl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2-(2-methylbutylsulfinyl)acetamide
PubChem CID107753805
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(5-amino-2-methoxyphenyl)-2-(2-methylbutylsulfinyl)acetamide
SMILESCCC(C)CS(=O)CC(=O)Nc1cc(N)ccc1OC
InChIInChI=1S/C14H22N2O3S/c1-4-10(2)8-20(18)9-14(17)16-12-7-11(15)5-6-13(12)19-3/h5-7,10H,4,8-9,15H2,1-3H3,(H,16,17)
InChIKeyXUHQEYDAJMDFFJ-UHFFFAOYSA-N
XLogP2.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methoxyphenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753824
N-(5-amino-2-methoxyphenyl)-2-(cyclopentylmethylsulfinyl)acetamide
CID 63119681
N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)acetamide
CID 107748768
N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884523
N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide
CID 107753806
N-(5-amino-2-methoxyphenyl)-2-methylpropanamide
CID 16772178
N-(5-amino-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]acetamide
CID 43269237
N-(5-amino-2-methoxyphenyl)-2-ethoxypropanamide
CID 16783991
N-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide
CID 15475907
N-(5-amino-2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)propanamide
CID 107753666
N-(5-amino-2-methoxyphenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16785339
N-(5-amino-2-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61449940

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(2-methylbutylsulfinyl)acetamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(2-methylbutylsulfinyl)acetamide (CID 107753805) is N-(5-amino-2-methoxyphenyl)-2-(2-methylbutylsulfinyl)acetamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2-(2-methylbutylsulfinyl)acetamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2-(2-methylbutylsulfinyl)acetamide is CCC(C)CS(=O)CC(=O)Nc1cc(N)ccc1OC.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2-(2-methylbutylsulfinyl)acetamide?
The InChIKey is XUHQEYDAJMDFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-10(2)8-20(18)9-14(17)16-12-7-11(15)5-6-13(12)19-3/h5-7,10H,4,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of N-(5-amino-2-methoxyphenyl)-2-(2-methylbutylsulfinyl)acetamide?
N-(5-amino-2-methoxyphenyl)-2-(2-methylbutylsulfinyl)acetamide has a molecular weight of 298.41 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-2-(2-methylbutylsulfinyl)acetamide is sourced from PubChem (CID 107753805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).