N-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide

C14H22N2O4S — CID 113150811

IUPACN-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
SMILESCOCCNC(=O)CN(C(C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-12(13-7-5-4-6-8-13)16(21(3,18)19)11-14(17)15-9-10-20-2/h4-8,12H,9-11H2,1-3H3,(H,15,17)
InChIKeyLKAOTTMXMPRTRX-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.77
Rot. Bonds8

About N-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide

N-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide (PubChem CID 113150811) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
PubChem CID113150811
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
SMILESCOCCNC(=O)CN(C(C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-12(13-7-5-4-6-8-13)16(21(3,18)19)11-14(17)15-9-10-20-2/h4-8,12H,9-11H2,1-3H3,(H,15,17)
InChIKeyLKAOTTMXMPRTRX-UHFFFAOYSA-N
XLogP0.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.77
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-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150859
N-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150856
2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide
CID 113066857
N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide
CID 113066843
N-cyclopentyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150806
2-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113150910
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
N-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150897
2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide
CID 113147718
N-(5-methyl-1,2-oxazol-3-yl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150936
4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide
CID 113066828
2-[(2-cyano-1-phenylethyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 62778905

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide (CID 113150811) is N-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide is COCCNC(=O)CN(C(C)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
The InChIKey is LKAOTTMXMPRTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-12(13-7-5-4-6-8-13)16(21(3,18)19)11-14(17)15-9-10-20-2/h4-8,12H,9-11H2,1-3H3,(H,15,17).
What are the key properties of N-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
N-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide has a molecular weight of 314.41 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide is sourced from PubChem (CID 113150811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).