N-[2-(4-aminophenoxy)ethyl]thieno[3,2-b]thiophene-5-carboxamide

C15H14N2O2S2 — CID 80721923

IUPACN-[2-(4-aminophenoxy)ethyl]thieno[3,2-b]thiophene-5-carboxamide
SMILESNc1ccc(OCCNC(=O)c2cc3sccc3s2)cc1
InChIInChI=1S/C15H14N2O2S2/c16-10-1-3-11(4-2-10)19-7-6-17-15(18)14-9-13-12(21-14)5-8-20-13/h1-5,8-9H,6-7,16H2,(H,17,18)
InChIKeySIBOWZABQCHINQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.35
Rot. Bonds5

About N-[2-(4-aminophenoxy)ethyl]thieno[3,2-b]thiophene-5-carboxamide

N-[2-(4-aminophenoxy)ethyl]thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 80721923) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-(4-aminophenoxy)ethyl]thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenoxy)ethyl]thieno[3,2-b]thiophene-5-carboxamide
PubChem CID80721923
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC NameN-[2-(4-aminophenoxy)ethyl]thieno[3,2-b]thiophene-5-carboxamide
SMILESNc1ccc(OCCNC(=O)c2cc3sccc3s2)cc1
InChIInChI=1S/C15H14N2O2S2/c16-10-1-3-11(4-2-10)19-7-6-17-15(18)14-9-13-12(21-14)5-8-20-13/h1-5,8-9H,6-7,16H2,(H,17,18)
InChIKeySIBOWZABQCHINQ-UHFFFAOYSA-N
XLogP3.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)thieno[3,2-b]thiophene-5-carboxamide
CID 30772849
N-(3-chloro-4-methoxybutyl)thieno[3,2-b]thiophene-5-carboxamide
CID 114163177
N-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80745911
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
N-[2-(4-aminophenoxy)ethyl]-3,5-dibromobenzamide
CID 107971002
N-[2-(4-aminophenoxy)ethyl]-3,5-dichlorobenzamide
CID 61031479
N-[2-(4-aminophenoxy)ethyl]-2,3-dihydroxybenzamide
CID 114343182
2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid
CID 80733577
N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide
CID 39373072
N-[2-(4-aminophenoxy)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 63237844
3-(4-aminophenoxy)propylcarbamic acid
CID 22640978
N-[(4-bromocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
CID 106134351

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenoxy)ethyl]thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-[2-(4-aminophenoxy)ethyl]thieno[3,2-b]thiophene-5-carboxamide (CID 80721923) is N-[2-(4-aminophenoxy)ethyl]thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenoxy)ethyl]thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-[2-(4-aminophenoxy)ethyl]thieno[3,2-b]thiophene-5-carboxamide is Nc1ccc(OCCNC(=O)c2cc3sccc3s2)cc1.
What is the InChIKey of N-[2-(4-aminophenoxy)ethyl]thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is SIBOWZABQCHINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c16-10-1-3-11(4-2-10)19-7-6-17-15(18)14-9-13-12(21-14)5-8-20-13/h1-5,8-9H,6-7,16H2,(H,17,18).
What are the key properties of N-[2-(4-aminophenoxy)ethyl]thieno[3,2-b]thiophene-5-carboxamide?
N-[2-(4-aminophenoxy)ethyl]thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenoxy)ethyl]thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 80721923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).