5-methyl-3-(4-methylsulfonylphenyl)-4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C20H16F3NO3S2 — CID 11683608

IUPAC5-methyl-3-(4-methylsulfonylphenyl)-4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCc1sc(C(N)=O)c(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H16F3NO3S2/c1-11-16(14-5-3-4-6-15(14)20(21,22)23)17(18(28-11)19(24)25)12-7-9-13(10-8-12)29(2,26)27/h3-10H,1-2H3,(H2,24,25)
InChIKeyHCXBZMHSYBVDLS-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.91
Rot. Bonds4

About 5-methyl-3-(4-methylsulfonylphenyl)-4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide

5-methyl-3-(4-methylsulfonylphenyl)-4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 11683608) has the molecular formula C20H16F3NO3S2 and a molecular weight of 439.48 g/mol. Its IUPAC name is 5-methyl-3-(4-methylsulfonylphenyl)-4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-3-(4-methylsulfonylphenyl)-4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID11683608
Molecular FormulaC20H16F3NO3S2
Molecular Weight439.48 g/mol
Exact Mass439.05
IUPAC Name5-methyl-3-(4-methylsulfonylphenyl)-4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCc1sc(C(N)=O)c(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H16F3NO3S2/c1-11-16(14-5-3-4-6-15(14)20(21,22)23)17(18(28-11)19(24)25)12-7-9-13(10-8-12)29(2,26)27/h3-10H,1-2H3,(H2,24,25)
InChIKeyHCXBZMHSYBVDLS-UHFFFAOYSA-N
XLogP4.91
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-[4-(2-phenylethylsulfanylmethyl)phenyl]phenyl]ethylsulfonyl]thiophene-2-carboxamide
CID 44320405
3-(4-Fluorophenyl)sulfonyl-5-phenylthiophene-2-carboxamide
CID 56670204
4-(4-fluorophenyl)-5-methyl-N-methylsulfonylthiophene-2-carboxamide
CID 71855389
2-methyl-5-methylsulfonyl-N-thiophen-2-ylsulfonylbenzamide
CID 71894529
2-methyl-5-methylsulfonyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide
CID 71941137
N-((5-benzoylthiophen-2-yl)methyl)-4-(trifluoromethyl)benzenesulfonamide
CID 72717659
3-acetyl-N-(2-(thiophen-3-yl)benzyl)benzenesulfonamide
CID 72719573
N-ethyl-5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide
CID 10525223
5-(4-Fluorophenyl)-4-[4-(methylsulfonyl)phenyl]thiophene-2-carboxamide
CID 10619477
N-methyl-5-(4-fluorophenyl)-4-[4-(methylsulfonyl)phenyl]thiophene-2-carboxamide
CID 10644056
5-(4-fluorophenyl)-N-hydroxy-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide
CID 10669008
4-[4-(Trifluoromethylsulfonyl)phenyl]benzamide
CID 11529994

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methylsulfonylphenyl)-4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-3-(4-methylsulfonylphenyl)-4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 11683608) is 5-methyl-3-(4-methylsulfonylphenyl)-4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-3-(4-methylsulfonylphenyl)-4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-3-(4-methylsulfonylphenyl)-4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide is Cc1sc(C(N)=O)c(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccccc1C(F)(F)F.
What is the InChIKey of 5-methyl-3-(4-methylsulfonylphenyl)-4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is HCXBZMHSYBVDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO3S2/c1-11-16(14-5-3-4-6-15(14)20(21,22)23)17(18(28-11)19(24)25)12-7-9-13(10-8-12)29(2,26)27/h3-10H,1-2H3,(H2,24,25).
What are the key properties of 5-methyl-3-(4-methylsulfonylphenyl)-4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
5-methyl-3-(4-methylsulfonylphenyl)-4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methylsulfonylphenyl)-4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 11683608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).