5-bromo-N-(2-naphthalen-1-yloxyethyl)thiophene-2-carboxamide

C17H14BrNO2S — CID 55889774

IUPAC5-bromo-N-(2-naphthalen-1-yloxyethyl)thiophene-2-carboxamide
SMILESO=C(NCCOc1cccc2ccccc12)c1ccc(Br)s1
InChIInChI=1S/C17H14BrNO2S/c18-16-9-8-15(22-16)17(20)19-10-11-21-14-7-3-5-12-4-1-2-6-13(12)14/h1-9H,10-11H2,(H,19,20)
InChIKeyRIMQHDPJDQBEER-UHFFFAOYSA-N
MW376.28 g/mol
LogP4.47
Rot. Bonds5

About 5-bromo-N-(2-naphthalen-1-yloxyethyl)thiophene-2-carboxamide

5-bromo-N-(2-naphthalen-1-yloxyethyl)thiophene-2-carboxamide (PubChem CID 55889774) has the molecular formula C17H14BrNO2S and a molecular weight of 376.28 g/mol. Its IUPAC name is 5-bromo-N-(2-naphthalen-1-yloxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-naphthalen-1-yloxyethyl)thiophene-2-carboxamide
PubChem CID55889774
Molecular FormulaC17H14BrNO2S
Molecular Weight376.28 g/mol
Exact Mass374.99
IUPAC Name5-bromo-N-(2-naphthalen-1-yloxyethyl)thiophene-2-carboxamide
SMILESO=C(NCCOc1cccc2ccccc12)c1ccc(Br)s1
InChIInChI=1S/C17H14BrNO2S/c18-16-9-8-15(22-16)17(20)19-10-11-21-14-7-3-5-12-4-1-2-6-13(12)14/h1-9H,10-11H2,(H,19,20)
InChIKeyRIMQHDPJDQBEER-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 54.47
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

3-bromo-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174691
N-[2-(3-aminophenoxy)ethyl]-5-bromothiophene-2-carboxamide
CID 54915199
2-chloro-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174581
2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide
CID 2227968
N-(2-naphthalen-1-yloxyethyl)-1H-pyrazole-5-carboxamide
CID 71939309
5-bromo-N-[2-(2-chloroethoxy)ethyl]thiophene-2-carboxamide
CID 114297571
2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 2063074
3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174588
N-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 54915737
2,4-dichloro-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174593
3-methoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174692
1-[(5-bromothiophene-2-carbonyl)amino]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 78892353

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-naphthalen-1-yloxyethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-naphthalen-1-yloxyethyl)thiophene-2-carboxamide (CID 55889774) is 5-bromo-N-(2-naphthalen-1-yloxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-naphthalen-1-yloxyethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-naphthalen-1-yloxyethyl)thiophene-2-carboxamide is O=C(NCCOc1cccc2ccccc12)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-naphthalen-1-yloxyethyl)thiophene-2-carboxamide?
The InChIKey is RIMQHDPJDQBEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2S/c18-16-9-8-15(22-16)17(20)19-10-11-21-14-7-3-5-12-4-1-2-6-13(12)14/h1-9H,10-11H2,(H,19,20).
What are the key properties of 5-bromo-N-(2-naphthalen-1-yloxyethyl)thiophene-2-carboxamide?
5-bromo-N-(2-naphthalen-1-yloxyethyl)thiophene-2-carboxamide has a molecular weight of 376.28 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-naphthalen-1-yloxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 55889774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).