N-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide

C14H22N2O4S — CID 113150637

IUPACN-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide
SMILESCOCCNC(=O)CN(Cc1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-12-5-4-6-13(9-12)10-16(21(3,18)19)11-14(17)15-7-8-20-2/h4-6,9H,7-8,10-11H2,1-3H3,(H,15,17)
InChIKeyGMLHHRSDHJTJDT-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.52
Rot. Bonds8

About N-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide

N-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 113150637) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide
PubChem CID113150637
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide
SMILESCOCCNC(=O)CN(Cc1cccc(C)c1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-12-5-4-6-13(9-12)10-16(21(3,18)19)11-14(17)15-7-8-20-2/h4-6,9H,7-8,10-11H2,1-3H3,(H,15,17)
InChIKeyGMLHHRSDHJTJDT-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
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)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138863
2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 113149442
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide
CID 113066708
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113153556
N-[2-(3-methoxyphenoxy)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100554880
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066712
2-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066723
N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150734
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066979
2-[(3-methylphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 113150711
3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066703
N-[2-(2-methoxyethylamino)ethyl]-2-(3-methylphenyl)acetamide
CID 82994349

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide (CID 113150637) is N-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide is COCCNC(=O)CN(Cc1cccc(C)c1)S(C)(=O)=O.
What is the InChIKey of N-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is GMLHHRSDHJTJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-12-5-4-6-13(9-12)10-16(21(3,18)19)11-14(17)15-7-8-20-2/h4-6,9H,7-8,10-11H2,1-3H3,(H,15,17).
What are the key properties of N-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide?
N-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 314.41 g/mol, XLogP of 0.52, 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-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113150637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).