N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide

C17H18F2N2O3S — CID 21373041

IUPACN-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
SMILESCS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H18F2N2O3S/c1-25(23,24)21(10-9-13-5-3-2-4-6-13)12-17(22)20-16-8-7-14(18)11-15(16)19/h2-8,11H,9-10,12H2,1H3,(H,20,22)
InChIKeyVMJPUQJCSMSSFP-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.41
Rot. Bonds7

About N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide

N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide (PubChem CID 21373041) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
PubChem CID21373041
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC NameN-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
SMILESCS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H18F2N2O3S/c1-25(23,24)21(10-9-13-5-3-2-4-6-13)12-17(22)20-16-8-7-14(18)11-15(16)19/h2-8,11H,9-10,12H2,1H3,(H,20,22)
InChIKeyVMJPUQJCSMSSFP-UHFFFAOYSA-N
XLogP2.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-propan-2-ylphenyl)acetamide
CID 113152077
3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113120880
N-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151862
N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7354164
N-[(2-fluorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151835
2-[methylsulfonyl(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 21373045
N-(3-acetylphenyl)-2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]acetamide
CID 113152095
2-[methylsulfonyl(2-phenylethyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7354154
2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113152094
N-(2,5-difluorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 28544285
3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113136791
N-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153470

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide (CID 21373041) is N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide is CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The InChIKey is VMJPUQJCSMSSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-25(23,24)21(10-9-13-5-3-2-4-6-13)12-17(22)20-16-8-7-14(18)11-15(16)19/h2-8,11H,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide has a molecular weight of 368.41 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 21373041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).