4-(4-fluorophenyl)-5-methyl-N-methylsulfonylthiophene-2-carboxamide

C13H12FNO3S2 — CID 71855389

IUPAC4-(4-fluorophenyl)-5-methyl-N-methylsulfonylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NS(C)(=O)=O)cc1-c1ccc(F)cc1
InChIInChI=1S/C13H12FNO3S2/c1-8-11(9-3-5-10(14)6-4-9)7-12(19-8)13(16)15-20(2,17)18/h3-7H,1-2H3,(H,15,16)
InChIKeyDJCLNLXPUYXBLJ-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.55
Rot. Bonds3

About 4-(4-fluorophenyl)-5-methyl-N-methylsulfonylthiophene-2-carboxamide

4-(4-fluorophenyl)-5-methyl-N-methylsulfonylthiophene-2-carboxamide (PubChem CID 71855389) has the molecular formula C13H12FNO3S2 and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methyl-N-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methyl-N-methylsulfonylthiophene-2-carboxamide
PubChem CID71855389
Molecular FormulaC13H12FNO3S2
Molecular Weight313.38 g/mol
Exact Mass313.02
IUPAC Name4-(4-fluorophenyl)-5-methyl-N-methylsulfonylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NS(C)(=O)=O)cc1-c1ccc(F)cc1
InChIInChI=1S/C13H12FNO3S2/c1-8-11(9-3-5-10(14)6-4-9)7-12(19-8)13(16)15-20(2,17)18/h3-7H,1-2H3,(H,15,16)
InChIKeyDJCLNLXPUYXBLJ-UHFFFAOYSA-N
XLogP2.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-methyl-N-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-methyl-N-methylsulfonylthiophene-2-carboxamide (CID 71855389) is 4-(4-fluorophenyl)-5-methyl-N-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methyl-N-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-methyl-N-methylsulfonylthiophene-2-carboxamide is Cc1sc(C(=O)NS(C)(=O)=O)cc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-methyl-N-methylsulfonylthiophene-2-carboxamide?
The InChIKey is DJCLNLXPUYXBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3S2/c1-8-11(9-3-5-10(14)6-4-9)7-12(19-8)13(16)15-20(2,17)18/h3-7H,1-2H3,(H,15,16).
What are the key properties of 4-(4-fluorophenyl)-5-methyl-N-methylsulfonylthiophene-2-carboxamide?
4-(4-fluorophenyl)-5-methyl-N-methylsulfonylthiophene-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-methyl-N-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 71855389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).