N-[4-(difluoromethylsulfonyl)phenyl]-2-thiophen-3-ylacetamide

C13H11F2NO3S2 — CID 2453536

IUPACN-[4-(difluoromethylsulfonyl)phenyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C13H11F2NO3S2/c14-13(15)21(18,19)11-3-1-10(2-4-11)16-12(17)7-9-5-6-20-8-9/h1-6,8,13H,7H2,(H,16,17)
InChIKeyJFTSAYOSVONBBF-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.93
Rot. Bonds5

About N-[4-(difluoromethylsulfonyl)phenyl]-2-thiophen-3-ylacetamide

N-[4-(difluoromethylsulfonyl)phenyl]-2-thiophen-3-ylacetamide (PubChem CID 2453536) has the molecular formula C13H11F2NO3S2 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]-2-thiophen-3-ylacetamide
PubChem CID2453536
Molecular FormulaC13H11F2NO3S2
Molecular Weight331.37 g/mol
Exact Mass331.01
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C13H11F2NO3S2/c14-13(15)21(18,19)11-3-1-10(2-4-11)16-12(17)7-9-5-6-20-8-9/h1-6,8,13H,7H2,(H,16,17)
InChIKeyJFTSAYOSVONBBF-UHFFFAOYSA-N
XLogP2.93
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-2-(2-thienyl)acetamide
CID 670140
N-phenyl-2-(2-thienyl)acetamide
CID 779609
N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
CID 670143
N-(4-fluorophenyl)-2-(2-thienyl)acetamide
CID 531783
N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 687455
N-(2-Fluoro-4-Sulfamoylphenyl)-2-(Thiophen-2-Yl)acetamide
CID 44520897
5-methyl-N-[4-(methylsulfamoyl)phenyl]thiophene-3-carboxamide
CID 1247495
N-(2-fluorophenyl)-2-thiophen-3-ylacetamide
CID 4805494
N-[3-(dimethylsulfamoyl)phenyl]-2-thiophen-3-ylacetamide
CID 4805705
N-[4-(dipropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
CID 2931351
N-(2-fluorophenyl)-2-(thiophen-2-yl)acetamide
CID 532843
N-[4-(difluoromethylsulfanyl)phenyl]-5-methylthiophene-2-carboxamide
CID 2556988

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-thiophen-3-ylacetamide (CID 2453536) is N-[4-(difluoromethylsulfonyl)phenyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)Nc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]-2-thiophen-3-ylacetamide?
The InChIKey is JFTSAYOSVONBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO3S2/c14-13(15)21(18,19)11-3-1-10(2-4-11)16-12(17)7-9-5-6-20-8-9/h1-6,8,13H,7H2,(H,16,17).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]-2-thiophen-3-ylacetamide?
N-[4-(difluoromethylsulfonyl)phenyl]-2-thiophen-3-ylacetamide has a molecular weight of 331.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 2453536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).