5-bromo-N-(4-pentylphenyl)thiophene-3-carboxamide

C16H18BrNOS — CID 63524950

IUPAC5-bromo-N-(4-pentylphenyl)thiophene-3-carboxamide
SMILESCCCCCc1ccc(NC(=O)c2csc(Br)c2)cc1
InChIInChI=1S/C16H18BrNOS/c1-2-3-4-5-12-6-8-14(9-7-12)18-16(19)13-10-15(17)20-11-13/h6-11H,2-5H2,1H3,(H,18,19)
InChIKeyDJOYUUZVSLAWQU-UHFFFAOYSA-N
MW352.30 g/mol
LogP5.50
Rot. Bonds6

About 5-bromo-N-(4-pentylphenyl)thiophene-3-carboxamide

5-bromo-N-(4-pentylphenyl)thiophene-3-carboxamide (PubChem CID 63524950) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is 5-bromo-N-(4-pentylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-pentylphenyl)thiophene-3-carboxamide
PubChem CID63524950
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC Name5-bromo-N-(4-pentylphenyl)thiophene-3-carboxamide
SMILESCCCCCc1ccc(NC(=O)c2csc(Br)c2)cc1
InChIInChI=1S/C16H18BrNOS/c1-2-3-4-5-12-6-8-14(9-7-12)18-16(19)13-10-15(17)20-11-13/h6-11H,2-5H2,1H3,(H,18,19)
InChIKeyDJOYUUZVSLAWQU-UHFFFAOYSA-N
XLogP5.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.30
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[4-(chloromethyl)phenyl]thiophene-3-carboxamide
CID 107966029
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-5-bromothiophene-3-carboxamide
CID 107961757
5-bromo-N-[4-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide
CID 37436093
2-amino-N-(4-pentylphenyl)benzamide
CID 16768967
6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide
CID 60630583
5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide
CID 63524951
5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide
CID 60793170
3-(cyclopropanecarbonylamino)-N-(4-pentylphenyl)benzamide
CID 34030665
5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide
CID 63999218
5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide
CID 62812532
3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide
CID 107517899

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-pentylphenyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(4-pentylphenyl)thiophene-3-carboxamide (CID 63524950) is 5-bromo-N-(4-pentylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-pentylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4-pentylphenyl)thiophene-3-carboxamide is CCCCCc1ccc(NC(=O)c2csc(Br)c2)cc1.
What is the InChIKey of 5-bromo-N-(4-pentylphenyl)thiophene-3-carboxamide?
The InChIKey is DJOYUUZVSLAWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-2-3-4-5-12-6-8-14(9-7-12)18-16(19)13-10-15(17)20-11-13/h6-11H,2-5H2,1H3,(H,18,19).
What are the key properties of 5-bromo-N-(4-pentylphenyl)thiophene-3-carboxamide?
5-bromo-N-(4-pentylphenyl)thiophene-3-carboxamide has a molecular weight of 352.30 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-pentylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 63524950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).