N-(2,6-difluorophenyl)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide

C18H20F2N2O3S — CID 113064567

IUPACN-(2,6-difluorophenyl)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C)c(C)c1)c1c(F)cccc1F
InChIInChI=1S/C18H20F2N2O3S/c1-12-7-8-15(11-13(12)2)26(24,25)21-9-10-22(14(3)23)18-16(19)5-4-6-17(18)20/h4-8,11,21H,9-10H2,1-3H3
InChIKeyPHDPZVVGSVVTLN-UHFFFAOYSA-N
MW382.43 g/mol
LogP2.91
Rot. Bonds6

About N-(2,6-difluorophenyl)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide

N-(2,6-difluorophenyl)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113064567) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID113064567
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC NameN-(2,6-difluorophenyl)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C)c(C)c1)c1c(F)cccc1F
InChIInChI=1S/C18H20F2N2O3S/c1-12-7-8-15(11-13(12)2)26(24,25)21-9-10-22(14(3)23)18-16(19)5-4-6-17(18)20/h4-8,11,21H,9-10H2,1-3H3
InChIKeyPHDPZVVGSVVTLN-UHFFFAOYSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113064563
N-(2-ethylphenyl)-N-[2-[(4-fluoro-3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113058367
N-(3,4-dimethylphenyl)-N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113057949
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide
CID 113054288
N-[2-[(4-fluoro-3-methylphenyl)sulfonylamino]ethyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113060991
N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 113054619
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(2-fluorophenyl)acetamide
CID 113059255
N-(3-chloro-4-fluorophenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060127
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113054618
N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113061610
N-(3-chloro-4-methylphenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060046

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide (CID 113064567) is N-(2,6-difluorophenyl)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc(C)c(C)c1)c1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is PHDPZVVGSVVTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c1-12-7-8-15(11-13(12)2)26(24,25)21-9-10-22(14(3)23)18-16(19)5-4-6-17(18)20/h4-8,11,21H,9-10H2,1-3H3.
What are the key properties of N-(2,6-difluorophenyl)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide?
N-(2,6-difluorophenyl)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 382.43 g/mol, XLogP of 2.91, 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-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113064567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).