N-[4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide

C21H24F3NO4S — CID 122627304

IUPACN-[4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCOC(C)(c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)C(F)(F)F
InChIInChI=1S/C21H24F3NO4S/c1-4-29-20(3,21(22,23)24)16-8-10-17(11-9-16)25-19(26)14-15-6-12-18(13-7-15)30(27,28)5-2/h6-13H,4-5,14H2,1-3H3,(H,25,26)
InChIKeySFYUPXCUWITRRC-UHFFFAOYSA-N
MW443.49 g/mol
LogP4.48
Rot. Bonds8

About N-[4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide

N-[4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 122627304) has the molecular formula C21H24F3NO4S and a molecular weight of 443.49 g/mol. Its IUPAC name is N-[4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID122627304
Molecular FormulaC21H24F3NO4S
Molecular Weight443.49 g/mol
Exact Mass443.14
IUPAC NameN-[4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCOC(C)(c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)C(F)(F)F
InChIInChI=1S/C21H24F3NO4S/c1-4-29-20(3,21(22,23)24)16-8-10-17(11-9-16)25-19(26)14-15-6-12-18(13-7-15)30(27,28)5-2/h6-13H,4-5,14H2,1-3H3,(H,25,26)
InChIKeySFYUPXCUWITRRC-UHFFFAOYSA-N
XLogP4.48
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide (CID 122627304) is N-[4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide is CCOC(C)(c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)C(F)(F)F.
What is the InChIKey of N-[4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is SFYUPXCUWITRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO4S/c1-4-29-20(3,21(22,23)24)16-8-10-17(11-9-16)25-19(26)14-15-6-12-18(13-7-15)30(27,28)5-2/h6-13H,4-5,14H2,1-3H3,(H,25,26).
What are the key properties of N-[4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 443.49 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 122627304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).