3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide

C12H10BrNO2S — CID 115598761

IUPAC3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1O)c1sccc1Br
InChIInChI=1S/C12H10BrNO2S/c13-9-5-6-17-11(9)12(16)14-7-8-3-1-2-4-10(8)15/h1-6,15H,7H2,(H,14,16)
InChIKeyFZKWSVZHFQBUCQ-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.15
Rot. Bonds3

About 3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide

3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 115598761) has the molecular formula C12H10BrNO2S and a molecular weight of 312.19 g/mol. Its IUPAC name is 3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID115598761
Molecular FormulaC12H10BrNO2S
Molecular Weight312.19 g/mol
Exact Mass310.96
IUPAC Name3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1O)c1sccc1Br
InChIInChI=1S/C12H10BrNO2S/c13-9-5-6-17-11(9)12(16)14-7-8-3-1-2-4-10(8)15/h1-6,15H,7H2,(H,14,16)
InChIKeyFZKWSVZHFQBUCQ-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 60778137
3-bromo-N-[[2-(3-methylbutoxy)phenyl]methyl]thiophene-2-carboxamide
CID 60618416
3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide
CID 106832316
3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide
CID 47340934
3-bromo-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 47220417
3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 112669931
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 25105717
3-bromo-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 47246546
3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide
CID 47220275
3-bromo-N-(2-phenylsulfanylethyl)thiophene-2-carboxamide
CID 47219653
3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
CID 88521756

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide (CID 115598761) is 3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide is O=C(NCc1ccccc1O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is FZKWSVZHFQBUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2S/c13-9-5-6-17-11(9)12(16)14-7-8-3-1-2-4-10(8)15/h1-6,15H,7H2,(H,14,16).
What are the key properties of 3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide?
3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 312.19 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 115598761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).