N-methyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide

C13H10F3NOS — CID 121494135

IUPACN-methyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C13H10F3NOS/c1-17-12(18)10-7-9(8-5-3-2-4-6-8)11(19-10)13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyOFSWPYTZVJFWNS-UHFFFAOYSA-N
MW285.29 g/mol
LogP3.79
Rot. Bonds2

About N-methyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide

N-methyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 121494135) has the molecular formula C13H10F3NOS and a molecular weight of 285.29 g/mol. Its IUPAC name is N-methyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID121494135
Molecular FormulaC13H10F3NOS
Molecular Weight285.29 g/mol
Exact Mass285.04
IUPAC NameN-methyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C13H10F3NOS/c1-17-12(18)10-7-9(8-5-3-2-4-6-8)11(19-10)13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyOFSWPYTZVJFWNS-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-methyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide (CID 121494135) is N-methyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-methyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide is CNC(=O)c1cc(-c2ccccc2)c(C(F)(F)F)s1.
What is the InChIKey of N-methyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is OFSWPYTZVJFWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NOS/c1-17-12(18)10-7-9(8-5-3-2-4-6-8)11(19-10)13(14,15)16/h2-7H,1H3,(H,17,18).
What are the key properties of N-methyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
N-methyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 285.29 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 121494135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).