4-(4-fluorophenyl)-5-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide

C18H15FN2OS — CID 97050777

IUPAC4-(4-fluorophenyl)-5-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCc1cccnc1NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1
InChIInChI=1S/C18H15FN2OS/c1-11-4-3-9-20-17(11)21-18(22)16-10-15(12(2)23-16)13-5-7-14(19)8-6-13/h3-10H,1-2H3,(H,20,21,22)
InChIKeyIYIYYOQTSUCYMO-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.82
Rot. Bonds3

About 4-(4-fluorophenyl)-5-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide

4-(4-fluorophenyl)-5-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide (PubChem CID 97050777) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
PubChem CID97050777
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC Name4-(4-fluorophenyl)-5-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCc1cccnc1NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1
InChIInChI=1S/C18H15FN2OS/c1-11-4-3-9-20-17(11)21-18(22)16-10-15(12(2)23-16)13-5-7-14(19)8-6-13/h3-10H,1-2H3,(H,20,21,22)
InChIKeyIYIYYOQTSUCYMO-UHFFFAOYSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide (CID 97050777) is 4-(4-fluorophenyl)-5-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide is Cc1cccnc1NC(=O)c1cc(-c2ccc(F)cc2)c(C)s1.
What is the InChIKey of 4-(4-fluorophenyl)-5-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide?
The InChIKey is IYIYYOQTSUCYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c1-11-4-3-9-20-17(11)21-18(22)16-10-15(12(2)23-16)13-5-7-14(19)8-6-13/h3-10H,1-2H3,(H,20,21,22).
What are the key properties of 4-(4-fluorophenyl)-5-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide?
4-(4-fluorophenyl)-5-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 97050777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).