N-ethyl-5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

C19H17FN2OS — CID 46082999

IUPACN-ethyl-5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H17FN2OS/c1-2-22(13-14-9-11-21-12-10-14)19(23)18-8-7-17(24-18)15-3-5-16(20)6-4-15/h3-12H,2,13H2,1H3
InChIKeyOFJOGIFMTMYATH-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.61
Rot. Bonds5

About N-ethyl-5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

N-ethyl-5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 46082999) has the molecular formula C19H17FN2OS and a molecular weight of 340.42 g/mol. Its IUPAC name is N-ethyl-5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
PubChem CID46082999
Molecular FormulaC19H17FN2OS
Molecular Weight340.42 g/mol
Exact Mass340.10
IUPAC NameN-ethyl-5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H17FN2OS/c1-2-22(13-14-9-11-21-12-10-14)19(23)18-8-7-17(24-18)15-3-5-16(20)6-4-15/h3-12H,2,13H2,1H3
InChIKeyOFJOGIFMTMYATH-UHFFFAOYSA-N
XLogP4.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-ethyl-5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (CID 46082999) is N-ethyl-5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is CCN(Cc1ccncc1)C(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-ethyl-5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is OFJOGIFMTMYATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS/c1-2-22(13-14-9-11-21-12-10-14)19(23)18-8-7-17(24-18)15-3-5-16(20)6-4-15/h3-12H,2,13H2,1H3.
What are the key properties of N-ethyl-5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
N-ethyl-5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 46082999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).