N-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide

C14H20F2N2O3S — CID 113136996

IUPACN-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
SMILESCC(C)CN(CCC(=O)Nc1c(F)cccc1F)S(C)(=O)=O
InChIInChI=1S/C14H20F2N2O3S/c1-10(2)9-18(22(3,20)21)8-7-13(19)17-14-11(15)5-4-6-12(14)16/h4-6,10H,7-9H2,1-3H3,(H,17,19)
InChIKeySNTIZABBFAJRCK-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.21
Rot. Bonds7

About N-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide

N-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide (PubChem CID 113136996) has the molecular formula C14H20F2N2O3S and a molecular weight of 334.39 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
PubChem CID113136996
Molecular FormulaC14H20F2N2O3S
Molecular Weight334.39 g/mol
Exact Mass334.12
IUPAC NameN-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
SMILESCC(C)CN(CCC(=O)Nc1c(F)cccc1F)S(C)(=O)=O
InChIInChI=1S/C14H20F2N2O3S/c1-10(2)9-18(22(3,20)21)8-7-13(19)17-14-11(15)5-4-6-12(14)16/h4-6,10H,7-9H2,1-3H3,(H,17,19)
InChIKeySNTIZABBFAJRCK-UHFFFAOYSA-N
XLogP2.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136920
N-(3-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136966
N-(2,6-difluorophenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide
CID 113137918
N-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136950
N-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136957
N-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136983
3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113141183
N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148460
N-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide
CID 109032108
N-(3-bromo-4-methylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136934
N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139253
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 113138157

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide (CID 113136996) is N-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide is CC(C)CN(CCC(=O)Nc1c(F)cccc1F)S(C)(=O)=O.
What is the InChIKey of N-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The InChIKey is SNTIZABBFAJRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O3S/c1-10(2)9-18(22(3,20)21)8-7-13(19)17-14-11(15)5-4-6-12(14)16/h4-6,10H,7-9H2,1-3H3,(H,17,19).
What are the key properties of N-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
N-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide has a molecular weight of 334.39 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113136996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).