N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylthiophene-2-carboxamide

C18H16N2O2S — CID 71884915

IUPACN-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylthiophene-2-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2sccc2-c2ccccc2)cn1
InChIInChI=1S/C18H16N2O2S/c1-20(14-8-9-16(22-2)19-12-14)18(21)17-15(10-11-23-17)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyVFKAZMJXSMYMGO-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.10
Rot. Bonds4

About N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylthiophene-2-carboxamide

N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylthiophene-2-carboxamide (PubChem CID 71884915) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylthiophene-2-carboxamide
PubChem CID71884915
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylthiophene-2-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2sccc2-c2ccccc2)cn1
InChIInChI=1S/C18H16N2O2S/c1-20(14-8-9-16(22-2)19-12-14)18(21)17-15(10-11-23-17)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyVFKAZMJXSMYMGO-UHFFFAOYSA-N
XLogP4.10
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylthiophene-2-carboxamide (CID 71884915) is N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylthiophene-2-carboxamide is COc1ccc(N(C)C(=O)c2sccc2-c2ccccc2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylthiophene-2-carboxamide?
The InChIKey is VFKAZMJXSMYMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-20(14-8-9-16(22-2)19-12-14)18(21)17-15(10-11-23-17)13-6-4-3-5-7-13/h3-12H,1-2H3.
What are the key properties of N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylthiophene-2-carboxamide?
N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylthiophene-2-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 71884915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).