N,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide

C15H24N2O3S — CID 113150541

IUPACN,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
SMILESCCN(CC)C(=O)CN(Cc1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-5-16(6-2)15(18)12-17(21(4,19)20)11-14-10-8-7-9-13(14)3/h7-10H,5-6,11-12H2,1-4H3
InChIKeyFDAZMWZOCOLTEM-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.63
Rot. Bonds7

About N,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide

N,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 113150541) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
PubChem CID113150541
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
SMILESCCN(CC)C(=O)CN(Cc1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-5-16(6-2)15(18)12-17(21(4,19)20)11-14-10-8-7-9-13(14)3/h7-10H,5-6,11-12H2,1-4H3
InChIKeyFDAZMWZOCOLTEM-UHFFFAOYSA-N
XLogP1.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylphenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide
CID 113150551
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide
CID 113150955
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138845
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
CID 113150542
N-(2-cyanophenyl)-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150616
N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide
CID 126109198
N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide
CID 113151099
N-[2-(2-fluorophenyl)ethyl]-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150529
4-[ethyl-[(2-methylphenyl)methyl]amino]-4-oxobutanoic acid
CID 39351791
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 113150524
3-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]propanoic acid
CID 43588371
N-ethyl-4-hydroxy-N-[(2-methylphenyl)methyl]pentanamide
CID 79204952

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide (CID 113150541) is N,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide is CCN(CC)C(=O)CN(Cc1ccccc1C)S(C)(=O)=O.
What is the InChIKey of N,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is FDAZMWZOCOLTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-16(6-2)15(18)12-17(21(4,19)20)11-14-10-8-7-9-13(14)3/h7-10H,5-6,11-12H2,1-4H3.
What are the key properties of N,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide?
N,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 312.44 g/mol, XLogP of 1.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113150541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).