N-[2-(difluoromethylsulfonyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide

C15H20F2N2O4S — CID 46666057

IUPACN-[2-(difluoromethylsulfonyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC(C)O1
InChIInChI=1S/C15H20F2N2O4S/c1-10-7-19(8-11(2)23-10)9-14(20)18-12-5-3-4-6-13(12)24(21,22)15(16)17/h3-6,10-11,15H,7-9H2,1-2H3,(H,18,20)
InChIKeyIMVAMOKOLORUPU-UHFFFAOYSA-N
MW362.40 g/mol
LogP1.73
Rot. Bonds5

About N-[2-(difluoromethylsulfonyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide

N-[2-(difluoromethylsulfonyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide (PubChem CID 46666057) has the molecular formula C15H20F2N2O4S and a molecular weight of 362.40 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
PubChem CID46666057
Molecular FormulaC15H20F2N2O4S
Molecular Weight362.40 g/mol
Exact Mass362.11
IUPAC NameN-[2-(difluoromethylsulfonyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC(C)O1
InChIInChI=1S/C15H20F2N2O4S/c1-10-7-19(8-11(2)23-10)9-14(20)18-12-5-3-4-6-13(12)24(21,22)15(16)17/h3-6,10-11,15H,7-9H2,1-2H3,(H,18,20)
InChIKeyIMVAMOKOLORUPU-UHFFFAOYSA-N
XLogP1.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2096773
N-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 55464521
N-[2-(difluoromethylsulfonyl)phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 55468782
N-(2-benzylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8900246
2-(2,6-dimethylmorpholin-4-yl)-N-(2-ethoxyphenyl)acetamide
CID 6470205
N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide
CID 43232974
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 8541617
3-[(3R)-1-[2-[2-(difluoromethylsulfonyl)anilino]-2-oxoethyl]piperidin-3-yl]propanamide
CID 52526985
3-[2-(difluoromethylsulfonyl)anilino]-3-oxopropanoic acid
CID 55049071
2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 51170473
2-(2,6-dimethylmorpholin-4-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 47020357
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(difluoromethylsulfonyl)phenyl]acetamide
CID 55360371

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide (CID 46666057) is N-[2-(difluoromethylsulfonyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfonyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The canonical SMILES for N-[2-(difluoromethylsulfonyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide is CC1CN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC(C)O1.
What is the InChIKey of N-[2-(difluoromethylsulfonyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The InChIKey is IMVAMOKOLORUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O4S/c1-10-7-19(8-11(2)23-10)9-14(20)18-12-5-3-4-6-13(12)24(21,22)15(16)17/h3-6,10-11,15H,7-9H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(difluoromethylsulfonyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide?
N-[2-(difluoromethylsulfonyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide has a molecular weight of 362.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide is sourced from PubChem (CID 46666057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).