N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-3-methylthiophene-2-carboxamide

C18H12ClF3N2OS — CID 11567439

IUPACN-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccccc1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C18H12ClF3N2OS/c1-10-6-7-26-16(10)17(25)24-14-5-3-2-4-12(14)15-13(19)8-11(9-23-15)18(20,21)22/h2-9H,1H3,(H,24,25)
InChIKeyBNEXAKIVXFEYSI-UHFFFAOYSA-N
MW396.82 g/mol
LogP6.04
Rot. Bonds3

About N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-3-methylthiophene-2-carboxamide

N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-3-methylthiophene-2-carboxamide (PubChem CID 11567439) has the molecular formula C18H12ClF3N2OS and a molecular weight of 396.82 g/mol. Its IUPAC name is N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-3-methylthiophene-2-carboxamide
PubChem CID11567439
Molecular FormulaC18H12ClF3N2OS
Molecular Weight396.82 g/mol
Exact Mass396.03
IUPAC NameN-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccccc1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C18H12ClF3N2OS/c1-10-6-7-26-16(10)17(25)24-14-5-3-2-4-12(14)15-13(19)8-11(9-23-15)18(20,21)22/h2-9H,1H3,(H,24,25)
InChIKeyBNEXAKIVXFEYSI-UHFFFAOYSA-N
XLogP6.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.82
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-3-methylthiophene-2-carboxamide (CID 11567439) is N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccccc1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is BNEXAKIVXFEYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2OS/c1-10-6-7-26-16(10)17(25)24-14-5-3-2-4-12(14)15-13(19)8-11(9-23-15)18(20,21)22/h2-9H,1H3,(H,24,25).
What are the key properties of N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-3-methylthiophene-2-carboxamide?
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 396.82 g/mol, XLogP of 6.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 11567439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).