2-bromo-N-(2-hydroxy-5-methylphenyl)thiophene-3-carboxamide

C12H10BrNO2S — CID 18422383

IUPAC2-bromo-N-(2-hydroxy-5-methylphenyl)thiophene-3-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2ccsc2Br)c1
InChIInChI=1S/C12H10BrNO2S/c1-7-2-3-10(15)9(6-7)14-12(16)8-4-5-17-11(8)13/h2-6,15H,1H3,(H,14,16)
InChIKeyBFSADIBQUPNNDZ-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.78
Rot. Bonds2

About 2-bromo-N-(2-hydroxy-5-methylphenyl)thiophene-3-carboxamide

2-bromo-N-(2-hydroxy-5-methylphenyl)thiophene-3-carboxamide (PubChem CID 18422383) has the molecular formula C12H10BrNO2S and a molecular weight of 312.19 g/mol. Its IUPAC name is 2-bromo-N-(2-hydroxy-5-methylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-hydroxy-5-methylphenyl)thiophene-3-carboxamide
PubChem CID18422383
Molecular FormulaC12H10BrNO2S
Molecular Weight312.19 g/mol
Exact Mass310.96
IUPAC Name2-bromo-N-(2-hydroxy-5-methylphenyl)thiophene-3-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2ccsc2Br)c1
InChIInChI=1S/C12H10BrNO2S/c1-7-2-3-10(15)9(6-7)14-12(16)8-4-5-17-11(8)13/h2-6,15H,1H3,(H,14,16)
InChIKeyBFSADIBQUPNNDZ-UHFFFAOYSA-N
XLogP3.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide
CID 103674569
3-[(2-bromo-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 81109933
N-(2-amino-5-methylphenyl)-2-hydroxy-5-methylbenzamide
CID 112557255
5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 110484171
5-[[3,5-bis[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]methyl]-1-N,3-N-bis(2-hydroxy-5-methylphenyl)benzene-1,3-dicarboxamide
CID 16753383
2-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide
CID 80504227
N'-hydroxy-N-(2-hydroxy-5-methylphenyl)butanediamide
CID 87750237
N-(2-amino-4-bromophenyl)-2-hydroxy-4-methylbenzamide
CID 29008265
N-(5-bromo-2,4-difluorophenyl)-2-hydroxy-4-methylbenzamide
CID 102854031
3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid
CID 75465271
N-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide
CID 107616577
2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide
CID 81003369

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-hydroxy-5-methylphenyl)thiophene-3-carboxamide?
The IUPAC name of 2-bromo-N-(2-hydroxy-5-methylphenyl)thiophene-3-carboxamide (CID 18422383) is 2-bromo-N-(2-hydroxy-5-methylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-hydroxy-5-methylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2-hydroxy-5-methylphenyl)thiophene-3-carboxamide is Cc1ccc(O)c(NC(=O)c2ccsc2Br)c1.
What is the InChIKey of 2-bromo-N-(2-hydroxy-5-methylphenyl)thiophene-3-carboxamide?
The InChIKey is BFSADIBQUPNNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2S/c1-7-2-3-10(15)9(6-7)14-12(16)8-4-5-17-11(8)13/h2-6,15H,1H3,(H,14,16).
What are the key properties of 2-bromo-N-(2-hydroxy-5-methylphenyl)thiophene-3-carboxamide?
2-bromo-N-(2-hydroxy-5-methylphenyl)thiophene-3-carboxamide has a molecular weight of 312.19 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-hydroxy-5-methylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 18422383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).