N-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide

C14H16N2O2S — CID 54915737

IUPACN-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCOc2ccccc2N)s1
InChIInChI=1S/C14H16N2O2S/c1-10-6-7-13(19-10)14(17)16-8-9-18-12-5-3-2-4-11(12)15/h2-7H,8-9,15H2,1H3,(H,16,17)
InChIKeyWKJNQUYUJQBGLY-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.45
Rot. Bonds5

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

N-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 54915737) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide
PubChem CID54915737
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCOc2ccccc2N)s1
InChIInChI=1S/C14H16N2O2S/c1-10-6-7-13(19-10)14(17)16-8-9-18-12-5-3-2-4-11(12)15/h2-7H,8-9,15H2,1H3,(H,16,17)
InChIKeyWKJNQUYUJQBGLY-UHFFFAOYSA-N
XLogP2.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide
CID 2227968
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 37362690
2-(2-aminophenoxy)ethylcarbamic acid
CID 70087941
N-[2-(2-aminophenoxy)ethyl]-2-hydroxy-5-methylbenzamide
CID 61031629
N-[2-(2-aminophenoxy)ethyl]-3,5-dihydroxybenzamide
CID 107702196
N-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide
CID 81110880
N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide
CID 63209631
N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide
CID 130710625
N-[2-(2-aminophenoxy)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 61030494
N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide
CID 62665926
5-bromo-N-(2-naphthalen-1-yloxyethyl)thiophene-2-carboxamide
CID 55889774
ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate
CID 60637607

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide (CID 54915737) is N-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCCOc2ccccc2N)s1.
What is the InChIKey of N-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is WKJNQUYUJQBGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-6-7-13(19-10)14(17)16-8-9-18-12-5-3-2-4-11(12)15/h2-7H,8-9,15H2,1H3,(H,16,17).
What are the key properties of N-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide?
N-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 54915737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).