N-(2,6-difluorophenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide

C17H18F2N2O3S — CID 113064563

IUPACN-(2,6-difluorophenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C)cc1)c1c(F)cccc1F
InChIInChI=1S/C17H18F2N2O3S/c1-12-6-8-14(9-7-12)25(23,24)20-10-11-21(13(2)22)17-15(18)4-3-5-16(17)19/h3-9,20H,10-11H2,1-2H3
InChIKeyINDKTXIKFPVDGR-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.60
Rot. Bonds6

About N-(2,6-difluorophenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide

N-(2,6-difluorophenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113064563) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID113064563
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC NameN-(2,6-difluorophenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C)cc1)c1c(F)cccc1F
InChIInChI=1S/C17H18F2N2O3S/c1-12-6-8-14(9-7-12)25(23,24)20-10-11-21(13(2)22)17-15(18)4-3-5-16(17)19/h3-9,20H,10-11H2,1-2H3
InChIKeyINDKTXIKFPVDGR-UHFFFAOYSA-N
XLogP2.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113064567
N-(4-ethylphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113058462
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
CID 113052047
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113061066
N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113061610
N-(3,4-dimethoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113061350
N-(3-chloro-4-fluorophenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060127
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide
CID 113057237
N-cyclopentyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052852
N-(2-ethylphenyl)-N-[2-[(4-fluoro-3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113058367
N-(2,4-dimethoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113061279
N-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113054618

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide (CID 113064563) is N-(2,6-difluorophenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc(C)cc1)c1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is INDKTXIKFPVDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-12-6-8-14(9-7-12)25(23,24)20-10-11-21(13(2)22)17-15(18)4-3-5-16(17)19/h3-9,20H,10-11H2,1-2H3.
What are the key properties of N-(2,6-difluorophenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
N-(2,6-difluorophenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 368.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113064563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).