2-[butyl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide

C11H24N2O4S — CID 113148250

IUPAC2-[butyl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCCCCN(CC(=O)NCCCOC)S(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-4-5-8-13(18(3,15)16)10-11(14)12-7-6-9-17-2/h4-10H2,1-3H3,(H,12,14)
InChIKeyCHWHEESYTKLDJC-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.20
Rot. Bonds10

About 2-[butyl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide

2-[butyl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide (PubChem CID 113148250) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[butyl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[butyl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide
PubChem CID113148250
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name2-[butyl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCCCCN(CC(=O)NCCCOC)S(C)(=O)=O
InChIInChI=1S/C11H24N2O4S/c1-4-5-8-13(18(3,15)16)10-11(14)12-7-6-9-17-2/h4-10H2,1-3H3,(H,12,14)
InChIKeyCHWHEESYTKLDJC-UHFFFAOYSA-N
XLogP0.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147465
N'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide
CID 108943305
2-[butyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 108994026
2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide
CID 113159992
N-(4-methoxybutyl)-2-[methyl(propyl)amino]acetamide
CID 154671140
3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115724
N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30257599
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide
CID 45372451
2-[butyl(methylsulfonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113148292
N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 2272160
2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 2260858
2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 113149442

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[butyl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide (CID 113148250) is 2-[butyl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[butyl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[butyl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide is CCCCN(CC(=O)NCCCOC)S(C)(=O)=O.
What is the InChIKey of 2-[butyl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide?
The InChIKey is CHWHEESYTKLDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-4-5-8-13(18(3,15)16)10-11(14)12-7-6-9-17-2/h4-10H2,1-3H3,(H,12,14).
What are the key properties of 2-[butyl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide?
2-[butyl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide has a molecular weight of 280.39 g/mol, XLogP of 0.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 113148250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).