N-(2,4-difluorophenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide

C12H16F2N2O3S — CID 113063351

IUPACN-(2,4-difluorophenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
SMILESCCS(=O)(=O)NCCN(C(C)=O)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O3S/c1-3-20(18,19)15-6-7-16(9(2)17)12-5-4-10(13)8-11(12)14/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyVXFCZXUYOVGTMI-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.26
Rot. Bonds6

About N-(2,4-difluorophenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide

N-(2,4-difluorophenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide (PubChem CID 113063351) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
PubChem CID113063351
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC NameN-(2,4-difluorophenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
SMILESCCS(=O)(=O)NCCN(C(C)=O)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O3S/c1-3-20(18,19)15-6-7-16(9(2)17)12-5-4-10(13)8-11(12)14/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyVXFCZXUYOVGTMI-UHFFFAOYSA-N
XLogP1.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2,4-difluoroanilino)propanoic acid
CID 28764816
tert-butyl N-[2-(N-acetyl-2,4-difluoroanilino)ethyl]carbamate
CID 113063345
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2,4-difluorophenyl)acetamide
CID 113063349
2-(N-acetyl-2,4-difluoroanilino)acetic acid
CID 28766218
N-(2,6-diethylphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113058917
3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide
CID 113133486
2-(N-acetyl-2,4-difluoroanilino)-N-butan-2-ylacetamide
CID 113178927
3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113133551
3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide
CID 113133398
N-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059351
2-(N-acetyl-2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 113179083
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113063486

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide (CID 113063351) is N-(2,4-difluorophenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide is CCS(=O)(=O)NCCN(C(C)=O)c1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide?
The InChIKey is VXFCZXUYOVGTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-3-20(18,19)15-6-7-16(9(2)17)12-5-4-10(13)8-11(12)14/h4-5,8,15H,3,6-7H2,1-2H3.
What are the key properties of N-(2,4-difluorophenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide?
N-(2,4-difluorophenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide has a molecular weight of 306.33 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 113063351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).