N-(diethylsulfamoyl)-2-(2,4-difluorophenyl)propanamide

C13H18F2N2O3S — CID 75375028

IUPACN-(diethylsulfamoyl)-2-(2,4-difluorophenyl)propanamide
SMILESCCN(CC)S(=O)(=O)NC(=O)C(C)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O3S/c1-4-17(5-2)21(19,20)16-13(18)9(3)11-7-6-10(14)8-12(11)15/h6-9H,4-5H2,1-3H3,(H,16,18)
InChIKeyOVGUPUWFFLXVPA-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.77
Rot. Bonds6

About N-(diethylsulfamoyl)-2-(2,4-difluorophenyl)propanamide

N-(diethylsulfamoyl)-2-(2,4-difluorophenyl)propanamide (PubChem CID 75375028) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is N-(diethylsulfamoyl)-2-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound NameN-(diethylsulfamoyl)-2-(2,4-difluorophenyl)propanamide
PubChem CID75375028
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC NameN-(diethylsulfamoyl)-2-(2,4-difluorophenyl)propanamide
SMILESCCN(CC)S(=O)(=O)NC(=O)C(C)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O3S/c1-4-17(5-2)21(19,20)16-13(18)9(3)11-7-6-10(14)8-12(11)15/h6-9H,4-5H2,1-3H3,(H,16,18)
InChIKeyOVGUPUWFFLXVPA-UHFFFAOYSA-N
XLogP1.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)propanoyl chloride
CID 117047610
2-[2-(diethylsulfamoyl)ethyl]-1-[1-(2,4-difluorophenyl)ethyl]-3-ethylguanidine
CID 111981181
2-(diethylamino)-2-(2,4-difluorophenyl)acetic acid
CID 43803709
(2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride
CID 119269517
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 79810222
N-[1-(2,4-difluorophenyl)ethyl]-2-propan-2-ylsulfonylacetamide
CID 87023939
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226798
1-[2-(diethylsulfamoyl)ethyl]-3-[1-(2,4-difluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111981178
(1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one
CID 101087572
ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate
CID 60638339
1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 113422000
N-[cyano-(2,4-difluorophenyl)methyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 56584375

Frequently Asked Questions

What is the IUPAC name of N-(diethylsulfamoyl)-2-(2,4-difluorophenyl)propanamide?
The IUPAC name of N-(diethylsulfamoyl)-2-(2,4-difluorophenyl)propanamide (CID 75375028) is N-(diethylsulfamoyl)-2-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for N-(diethylsulfamoyl)-2-(2,4-difluorophenyl)propanamide?
The canonical SMILES for N-(diethylsulfamoyl)-2-(2,4-difluorophenyl)propanamide is CCN(CC)S(=O)(=O)NC(=O)C(C)c1ccc(F)cc1F.
What is the InChIKey of N-(diethylsulfamoyl)-2-(2,4-difluorophenyl)propanamide?
The InChIKey is OVGUPUWFFLXVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c1-4-17(5-2)21(19,20)16-13(18)9(3)11-7-6-10(14)8-12(11)15/h6-9H,4-5H2,1-3H3,(H,16,18).
What are the key properties of N-(diethylsulfamoyl)-2-(2,4-difluorophenyl)propanamide?
N-(diethylsulfamoyl)-2-(2,4-difluorophenyl)propanamide has a molecular weight of 320.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylsulfamoyl)-2-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 75375028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).