N-(3,4-difluorophenyl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide

C18H20F2N2O3S — CID 113064672

IUPACN-(3,4-difluorophenyl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1cc(C)ccc1C)c1ccc(F)c(F)c1
InChIInChI=1S/C18H20F2N2O3S/c1-12-4-5-13(2)18(10-12)26(24,25)21-8-9-22(14(3)23)15-6-7-16(19)17(20)11-15/h4-7,10-11,21H,8-9H2,1-3H3
InChIKeyARZGTSQZBLYBOD-UHFFFAOYSA-N
MW382.43 g/mol
LogP2.91
Rot. Bonds6

About N-(3,4-difluorophenyl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide

N-(3,4-difluorophenyl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113064672) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID113064672
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC NameN-(3,4-difluorophenyl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1cc(C)ccc1C)c1ccc(F)c(F)c1
InChIInChI=1S/C18H20F2N2O3S/c1-12-4-5-13(2)18(10-12)26(24,25)21-8-9-22(14(3)23)15-6-7-16(19)17(20)11-15/h4-7,10-11,21H,8-9H2,1-3H3
InChIKeyARZGTSQZBLYBOD-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-(1,3-benzodioxol-5-yl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113063010
N-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
CID 113064664
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide
CID 113064685
N-(3,4-difluorophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113064682
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113064784
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-N-(4-methoxyphenyl)acetamide
CID 113060708
N-(3-chloro-4-fluorophenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060127
N-[4-(dimethylamino)phenyl]-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113062231
N-(2,4-dimethylphenyl)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113057732
N-(3-chloro-4-methylphenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060046
N-(4-ethylphenyl)-N-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113058473
3-(N-acetyl-3,4-difluoroanilino)propanoic acid
CID 28764847

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide (CID 113064672) is N-(3,4-difluorophenyl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)c1cc(C)ccc1C)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is ARZGTSQZBLYBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c1-12-4-5-13(2)18(10-12)26(24,25)21-8-9-22(14(3)23)15-6-7-16(19)17(20)11-15/h4-7,10-11,21H,8-9H2,1-3H3.
What are the key properties of N-(3,4-difluorophenyl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide?
N-(3,4-difluorophenyl)-N-[2-[(2,5-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-(3,4-difluorophenyl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113064672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).