N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-5-(trifluoromethyl)thiophene-2-carboxamide

C14H13F3N2O2S — CID 53185023

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCOc1ncccc1CN(C)C(=O)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C14H13F3N2O2S/c1-19(8-9-4-3-7-18-12(9)21-2)13(20)10-5-6-11(22-10)14(15,16)17/h3-7H,8H2,1-2H3
InChIKeyBBQUIEFSAFPXSQ-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.44
Rot. Bonds4

About N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-5-(trifluoromethyl)thiophene-2-carboxamide

N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 53185023) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID53185023
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCOc1ncccc1CN(C)C(=O)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C14H13F3N2O2S/c1-19(8-9-4-3-7-18-12(9)21-2)13(20)10-5-6-11(22-10)14(15,16)17/h3-7H,8H2,1-2H3
InChIKeyBBQUIEFSAFPXSQ-UHFFFAOYSA-N
XLogP3.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-5-(trifluoromethyl)thiophene-2-carboxamide (CID 53185023) is N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-5-(trifluoromethyl)thiophene-2-carboxamide is COc1ncccc1CN(C)C(=O)c1ccc(C(F)(F)F)s1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is BBQUIEFSAFPXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c1-19(8-9-4-3-7-18-12(9)21-2)13(20)10-5-6-11(22-10)14(15,16)17/h3-7H,8H2,1-2H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-5-(trifluoromethyl)thiophene-2-carboxamide?
N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 330.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 53185023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).