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

C16H25FN2O3S — CID 113150955

IUPAC2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(Cc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C16H25FN2O3S/c1-4-10-18(11-5-2)16(20)13-19(23(3,21)22)12-14-8-6-7-9-15(14)17/h6-9H,4-5,10-13H2,1-3H3
InChIKeyOBBGHPJGEPRTEB-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.24
Rot. Bonds9

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

2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide (PubChem CID 113150955) has the molecular formula C16H25FN2O3S and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide
PubChem CID113150955
Molecular FormulaC16H25FN2O3S
Molecular Weight344.45 g/mol
Exact Mass344.16
IUPAC Name2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(Cc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C16H25FN2O3S/c1-4-10-18(11-5-2)16(20)13-19(23(3,21)22)12-14-8-6-7-9-15(14)17/h6-9H,4-5,10-13H2,1-3H3
InChIKeyOBBGHPJGEPRTEB-UHFFFAOYSA-N
XLogP2.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-methylphenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide
CID 113150551
N,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150541
2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide
CID 39347931
N,N-diethyl-3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]propanamide
CID 113140279
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
CID 100717418
2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid
CID 61011390
ethyl 3-[[2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetyl]amino]-2-methylbenzoate
CID 100631116
2-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066894
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[2-(N-methylanilino)ethyl]acetamide
CID 100771196
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 100557424
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113150969
2-[(2-fluorophenyl)methylamino]-N,N-dipropylacetamide
CID 108997535

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide (CID 113150955) is 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN(Cc1ccccc1F)S(C)(=O)=O.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide?
The InChIKey is OBBGHPJGEPRTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O3S/c1-4-10-18(11-5-2)16(20)13-19(23(3,21)22)12-14-8-6-7-9-15(14)17/h6-9H,4-5,10-13H2,1-3H3.
What are the key properties of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide?
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide has a molecular weight of 344.45 g/mol, XLogP of 2.24, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N,N-dipropylacetamide is sourced from PubChem (CID 113150955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).