N-(2,4-dimethylphenyl)sulfonyl-2-(6-fluoronaphthalen-2-yl)oxyacetamide

C20H18FNO4S — CID 155517921

IUPACN-(2,4-dimethylphenyl)sulfonyl-2-(6-fluoronaphthalen-2-yl)oxyacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)COc2ccc3cc(F)ccc3c2)c(C)c1
InChIInChI=1S/C20H18FNO4S/c1-13-3-8-19(14(2)9-13)27(24,25)22-20(23)12-26-18-7-5-15-10-17(21)6-4-16(15)11-18/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeySILFNWMNHKWRCN-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.48
Rot. Bonds5

About N-(2,4-dimethylphenyl)sulfonyl-2-(6-fluoronaphthalen-2-yl)oxyacetamide

N-(2,4-dimethylphenyl)sulfonyl-2-(6-fluoronaphthalen-2-yl)oxyacetamide (PubChem CID 155517921) has the molecular formula C20H18FNO4S and a molecular weight of 387.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)sulfonyl-2-(6-fluoronaphthalen-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)sulfonyl-2-(6-fluoronaphthalen-2-yl)oxyacetamide
PubChem CID155517921
Molecular FormulaC20H18FNO4S
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC NameN-(2,4-dimethylphenyl)sulfonyl-2-(6-fluoronaphthalen-2-yl)oxyacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)COc2ccc3cc(F)ccc3c2)c(C)c1
InChIInChI=1S/C20H18FNO4S/c1-13-3-8-19(14(2)9-13)27(24,25)22-20(23)12-26-18-7-5-15-10-17(21)6-4-16(15)11-18/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeySILFNWMNHKWRCN-UHFFFAOYSA-N
XLogP3.48
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)sulfonyl-2-(6-fluoronaphthalen-2-yl)oxyacetamide?
The IUPAC name of N-(2,4-dimethylphenyl)sulfonyl-2-(6-fluoronaphthalen-2-yl)oxyacetamide (CID 155517921) is N-(2,4-dimethylphenyl)sulfonyl-2-(6-fluoronaphthalen-2-yl)oxyacetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)sulfonyl-2-(6-fluoronaphthalen-2-yl)oxyacetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)sulfonyl-2-(6-fluoronaphthalen-2-yl)oxyacetamide is Cc1ccc(S(=O)(=O)NC(=O)COc2ccc3cc(F)ccc3c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)sulfonyl-2-(6-fluoronaphthalen-2-yl)oxyacetamide?
The InChIKey is SILFNWMNHKWRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4S/c1-13-3-8-19(14(2)9-13)27(24,25)22-20(23)12-26-18-7-5-15-10-17(21)6-4-16(15)11-18/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of N-(2,4-dimethylphenyl)sulfonyl-2-(6-fluoronaphthalen-2-yl)oxyacetamide?
N-(2,4-dimethylphenyl)sulfonyl-2-(6-fluoronaphthalen-2-yl)oxyacetamide has a molecular weight of 387.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)sulfonyl-2-(6-fluoronaphthalen-2-yl)oxyacetamide is sourced from PubChem (CID 155517921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).