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

C14H20F2N2O4S — CID 113137918

IUPACN-(2,6-difluorophenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide
SMILESCOCCCN(CCC(=O)Nc1c(F)cccc1F)S(C)(=O)=O
InChIInChI=1S/C14H20F2N2O4S/c1-22-10-4-8-18(23(2,20)21)9-7-13(19)17-14-11(15)5-3-6-12(14)16/h3,5-6H,4,7-10H2,1-2H3,(H,17,19)
InChIKeyYZCPVRWUKXWDRB-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.59
Rot. Bonds9

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

N-(2,6-difluorophenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide (PubChem CID 113137918) has the molecular formula C14H20F2N2O4S and a molecular weight of 350.39 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide
PubChem CID113137918
Molecular FormulaC14H20F2N2O4S
Molecular Weight350.39 g/mol
Exact Mass350.11
IUPAC NameN-(2,6-difluorophenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide
SMILESCOCCCN(CCC(=O)Nc1c(F)cccc1F)S(C)(=O)=O
InChIInChI=1S/C14H20F2N2O4S/c1-22-10-4-8-18(23(2,20)21)9-7-13(19)17-14-11(15)5-3-6-12(14)16/h3,5-6H,4,7-10H2,1-2H3,(H,17,19)
InChIKeyYZCPVRWUKXWDRB-UHFFFAOYSA-N
XLogP1.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136996
N-(4-methoxyphenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide
CID 113137885
3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide
CID 113136736
N-(3-chloro-4-fluorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137731
3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066064
N-(2,6-difluorophenyl)-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 100745930
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 113138157
3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide
CID 113117165
3-[2-methoxyethyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113137715
N-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137781
N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139253
3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113137826

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide (CID 113137918) is N-(2,6-difluorophenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide is COCCCN(CCC(=O)Nc1c(F)cccc1F)S(C)(=O)=O.
What is the InChIKey of N-(2,6-difluorophenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide?
The InChIKey is YZCPVRWUKXWDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O4S/c1-22-10-4-8-18(23(2,20)21)9-7-13(19)17-14-11(15)5-3-6-12(14)16/h3,5-6H,4,7-10H2,1-2H3,(H,17,19).
What are the key properties of N-(2,6-difluorophenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide?
N-(2,6-difluorophenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide has a molecular weight of 350.39 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-[3-methoxypropyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113137918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).