2-(2,6-difluoro-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide

C17H18F2N2O4S — CID 113157658

IUPAC2-(2,6-difluoro-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(c2c(F)cccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C17H18F2N2O4S/c1-3-25-13-9-7-12(8-10-13)20-16(22)11-21(26(2,23)24)17-14(18)5-4-6-15(17)19/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyUYPSZQPLLQVHHO-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.77
Rot. Bonds7

About 2-(2,6-difluoro-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide

2-(2,6-difluoro-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide (PubChem CID 113157658) has the molecular formula C17H18F2N2O4S and a molecular weight of 384.40 g/mol. Its IUPAC name is 2-(2,6-difluoro-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-difluoro-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
PubChem CID113157658
Molecular FormulaC17H18F2N2O4S
Molecular Weight384.40 g/mol
Exact Mass384.10
IUPAC Name2-(2,6-difluoro-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(c2c(F)cccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C17H18F2N2O4S/c1-3-25-13-9-7-12(8-10-13)20-16(22)11-21(26(2,23)24)17-14(18)5-4-6-15(17)19/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyUYPSZQPLLQVHHO-UHFFFAOYSA-N
XLogP2.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 1098117
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1362820
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-ethoxyphenyl)acetamide
CID 1098100
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 23792597
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 51343121
N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157653
N-(4-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287763
2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 113157644
N-(4-ethoxyphenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30260152
N-(3-cyanophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157677
N-(4-ethoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 1290835
N-(1,3-benzodioxol-5-yl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157671

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(2,6-difluoro-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide (CID 113157658) is 2-(2,6-difluoro-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,6-difluoro-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(2,6-difluoro-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN(c2c(F)cccc2F)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2,6-difluoro-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide?
The InChIKey is UYPSZQPLLQVHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4S/c1-3-25-13-9-7-12(8-10-13)20-16(22)11-21(26(2,23)24)17-14(18)5-4-6-15(17)19/h4-10H,3,11H2,1-2H3,(H,20,22).
What are the key properties of 2-(2,6-difluoro-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide?
2-(2,6-difluoro-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide has a molecular weight of 384.40 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 113157658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).