N-[3-[1-(3,4-difluorophenyl)ethylsulfamoyl]-4-methylphenyl]acetamide

C17H18F2N2O3S — CID 78797689

IUPACN-[3-[1-(3,4-difluorophenyl)ethylsulfamoyl]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H18F2N2O3S/c1-10-4-6-14(20-12(3)22)9-17(10)25(23,24)21-11(2)13-5-7-15(18)16(19)8-13/h4-9,11,21H,1-3H3,(H,20,22)
InChIKeyGFZPLLHBZITYTC-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.27
Rot. Bonds5

About N-[3-[1-(3,4-difluorophenyl)ethylsulfamoyl]-4-methylphenyl]acetamide

N-[3-[1-(3,4-difluorophenyl)ethylsulfamoyl]-4-methylphenyl]acetamide (PubChem CID 78797689) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[3-[1-(3,4-difluorophenyl)ethylsulfamoyl]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(3,4-difluorophenyl)ethylsulfamoyl]-4-methylphenyl]acetamide
PubChem CID78797689
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC NameN-[3-[1-(3,4-difluorophenyl)ethylsulfamoyl]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H18F2N2O3S/c1-10-4-6-14(20-12(3)22)9-17(10)25(23,24)21-11(2)13-5-7-15(18)16(19)8-13/h4-9,11,21H,1-3H3,(H,20,22)
InChIKeyGFZPLLHBZITYTC-UHFFFAOYSA-N
XLogP3.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-[(5-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]acetamide
CID 55627714
N-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide
CID 47007924
N-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide
CID 78686890
(3,4-difluorophenyl) 5-acetamido-2-methylbenzenesulfonate
CID 39794864
5-[1-(3,4-difluorophenyl)ethylsulfamoyl]-2-methylbenzamide
CID 46406560
N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide
CID 47121816
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169674
N-[3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4-methylphenyl]acetamide
CID 65034115
1-[4-[1-[(2-fluoro-5-methylphenyl)sulfonylamino]ethyl]phenyl]-3-phenylurea
CID 55905729
N-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide
CID 79246647
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 984233
N-[4-[1-(3,4-dichlorophenyl)ethylsulfamoyl]phenyl]acetamide
CID 42999054

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3,4-difluorophenyl)ethylsulfamoyl]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[1-(3,4-difluorophenyl)ethylsulfamoyl]-4-methylphenyl]acetamide (CID 78797689) is N-[3-[1-(3,4-difluorophenyl)ethylsulfamoyl]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[1-(3,4-difluorophenyl)ethylsulfamoyl]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[1-(3,4-difluorophenyl)ethylsulfamoyl]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)c2ccc(F)c(F)c2)c1.
What is the InChIKey of N-[3-[1-(3,4-difluorophenyl)ethylsulfamoyl]-4-methylphenyl]acetamide?
The InChIKey is GFZPLLHBZITYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-10-4-6-14(20-12(3)22)9-17(10)25(23,24)21-11(2)13-5-7-15(18)16(19)8-13/h4-9,11,21H,1-3H3,(H,20,22).
What are the key properties of N-[3-[1-(3,4-difluorophenyl)ethylsulfamoyl]-4-methylphenyl]acetamide?
N-[3-[1-(3,4-difluorophenyl)ethylsulfamoyl]-4-methylphenyl]acetamide has a molecular weight of 368.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3,4-difluorophenyl)ethylsulfamoyl]-4-methylphenyl]acetamide is sourced from PubChem (CID 78797689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).