N-[4-(difluoromethylsulfanyl)phenyl]-5-methylthiophene-2-carboxamide

C13H11F2NOS2 — CID 2556988

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)s1
InChIInChI=1S/C13H11F2NOS2/c1-8-2-7-11(18-8)12(17)16-9-3-5-10(6-4-9)19-13(14)15/h2-7,13H,1H3,(H,16,17)
InChIKeyLVXYUNSCWCGALH-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.62
Rot. Bonds4

About N-[4-(difluoromethylsulfanyl)phenyl]-5-methylthiophene-2-carboxamide

N-[4-(difluoromethylsulfanyl)phenyl]-5-methylthiophene-2-carboxamide (PubChem CID 2556988) has the molecular formula C13H11F2NOS2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-5-methylthiophene-2-carboxamide
PubChem CID2556988
Molecular FormulaC13H11F2NOS2
Molecular Weight299.37 g/mol
Exact Mass299.03
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)s1
InChIInChI=1S/C13H11F2NOS2/c1-8-2-7-11(18-8)12(17)16-9-3-5-10(6-4-9)19-13(14)15/h2-7,13H,1H3,(H,16,17)
InChIKeyLVXYUNSCWCGALH-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-5-methylthiophene-2-carboxamide (CID 2556988) is N-[4-(difluoromethylsulfanyl)phenyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)s1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-5-methylthiophene-2-carboxamide?
The InChIKey is LVXYUNSCWCGALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NOS2/c1-8-2-7-11(18-8)12(17)16-9-3-5-10(6-4-9)19-13(14)15/h2-7,13H,1H3,(H,16,17).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-5-methylthiophene-2-carboxamide?
N-[4-(difluoromethylsulfanyl)phenyl]-5-methylthiophene-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 2556988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).