2-[(2-methylphenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide

C17H28N2O3S — CID 113150551

IUPAC2-[(2-methylphenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(Cc1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-5-11-18(12-6-2)17(20)14-19(23(4,21)22)13-16-10-8-7-9-15(16)3/h7-10H,5-6,11-14H2,1-4H3
InChIKeyBJXJHVFOQRPVJF-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.41
Rot. Bonds9

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

2-[(2-methylphenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide (PubChem CID 113150551) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide
PubChem CID113150551
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name2-[(2-methylphenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(Cc1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-5-11-18(12-6-2)17(20)14-19(23(4,21)22)13-16-10-8-7-9-15(16)3/h7-10H,5-6,11-14H2,1-4H3
InChIKeyBJXJHVFOQRPVJF-UHFFFAOYSA-N
XLogP2.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150541
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide
CID 113150955
2-(2-methylphenyl)-N,N-dipropylacetamide
CID 86977350
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138845
N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-propylacetamide
CID 60656670
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
CID 113150542
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid
CID 61412234
N-(2-cyanophenyl)-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150616
N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide
CID 126109198
N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138799
N-[2-(2-fluorophenyl)ethyl]-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150529
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 113150524

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide?
The IUPAC name of 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide (CID 113150551) is 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide?
The canonical SMILES for 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN(Cc1ccccc1C)S(C)(=O)=O.
What is the InChIKey of 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide?
The InChIKey is BJXJHVFOQRPVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-5-11-18(12-6-2)17(20)14-19(23(4,21)22)13-16-10-8-7-9-15(16)3/h7-10H,5-6,11-14H2,1-4H3.
What are the key properties of 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide?
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide has a molecular weight of 340.49 g/mol, XLogP of 2.41, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide is sourced from PubChem (CID 113150551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).