N-[2-(4-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide

C14H14FNOS — CID 1247475

IUPACN-[2-(4-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCc2ccc(F)cc2)s1
InChIInChI=1S/C14H14FNOS/c1-10-2-7-13(18-10)14(17)16-9-8-11-3-5-12(15)6-4-11/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyZFAVQEMLAQFYGJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.17
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide

N-[2-(4-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 1247475) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
PubChem CID1247475
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCc2ccc(F)cc2)s1
InChIInChI=1S/C14H14FNOS/c1-10-2-7-13(18-10)14(17)16-9-8-11-3-5-12(15)6-4-11/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyZFAVQEMLAQFYGJ-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide (CID 1247475) is N-[2-(4-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCCc2ccc(F)cc2)s1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is ZFAVQEMLAQFYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c1-10-2-7-13(18-10)14(17)16-9-8-11-3-5-12(15)6-4-11/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 1247475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).