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

C14H14FNO2S — CID 37362690

IUPACN-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCOc2ccc(F)cc2)s1
InChIInChI=1S/C14H14FNO2S/c1-10-2-7-13(19-10)14(17)16-8-9-18-12-5-3-11(15)4-6-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyKGIHNBWLJBHKRX-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.00
Rot. Bonds5

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

N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 37362690) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide
PubChem CID37362690
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCOc2ccc(F)cc2)s1
InChIInChI=1S/C14H14FNO2S/c1-10-2-7-13(19-10)14(17)16-8-9-18-12-5-3-11(15)4-6-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyKGIHNBWLJBHKRX-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 37363004
N-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 54915737
N-[4-(4-fluorophenoxy)butyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 134056623
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide
CID 130710625
N-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide
CID 32644414
N-[2-(4-fluorophenoxy)ethyl]-2,3-dimethylbenzamide
CID 37362583
N-[2-(4-chlorophenoxy)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18116165
2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide
CID 2227968
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30867085
N-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 42461386
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 82679348

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide (CID 37362690) is N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCCOc2ccc(F)cc2)s1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is KGIHNBWLJBHKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-10-2-7-13(19-10)14(17)16-8-9-18-12-5-3-11(15)4-6-12/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide?
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 37362690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).