4-bromo-N-hydroxy-3-methoxy-5-methylthiophene-2-carboxamide

C7H8BrNO3S — CID 130778418

IUPAC4-bromo-N-hydroxy-3-methoxy-5-methylthiophene-2-carboxamide
SMILESCOc1c(C(=O)NO)sc(C)c1Br
InChIInChI=1S/C7H8BrNO3S/c1-3-4(8)5(12-2)6(13-3)7(10)9-11/h11H,1-2H3,(H,9,10)
InChIKeyDWAIYYOLWOUCDL-UHFFFAOYSA-N
MW266.12 g/mol
LogP1.95
Rot. Bonds2

About 4-bromo-N-hydroxy-3-methoxy-5-methylthiophene-2-carboxamide

4-bromo-N-hydroxy-3-methoxy-5-methylthiophene-2-carboxamide (PubChem CID 130778418) has the molecular formula C7H8BrNO3S and a molecular weight of 266.12 g/mol. Its IUPAC name is 4-bromo-N-hydroxy-3-methoxy-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-hydroxy-3-methoxy-5-methylthiophene-2-carboxamide
PubChem CID130778418
Molecular FormulaC7H8BrNO3S
Molecular Weight266.12 g/mol
Exact Mass264.94
IUPAC Name4-bromo-N-hydroxy-3-methoxy-5-methylthiophene-2-carboxamide
SMILESCOc1c(C(=O)NO)sc(C)c1Br
InChIInChI=1S/C7H8BrNO3S/c1-3-4(8)5(12-2)6(13-3)7(10)9-11/h11H,1-2H3,(H,9,10)
InChIKeyDWAIYYOLWOUCDL-UHFFFAOYSA-N
XLogP1.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-methoxy-N,5-dimethylthiophene-2-carboxamide
CID 69113007
4-bromo-3-methoxy-5-methyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119434344
4-bromo-N-(3-hydroxybutyl)-3-methoxy-5-methylthiophene-2-carboxamide
CID 111470223
6-[(4-bromo-3-methoxy-5-methylthiophene-2-carbonyl)amino]hexanoic acid
CID 119219722
(2S)-2-[(4-bromo-3-methoxy-5-methylthiophene-2-carbonyl)amino]hexanoic acid
CID 120614838
2-[[(4-bromo-3-methoxy-5-methylthiophene-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119252780
4-bromo-N-[(2-hydroxycyclopentyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 111471513
3-[(4-bromo-3-methoxy-5-methylthiophene-2-carbonyl)amino]-2-phenylpropanoic acid
CID 119254521
4-bromo-3-methoxy-5-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120555972
2-[(4-bromo-3-methoxy-5-methylthiophene-2-carbonyl)-methylamino]acetic acid
CID 119171836
methyl 3-methoxy-4,5-dimethylthiophene-2-carboxylate
CID 14154178
(4-bromo-3-methoxy-5-methylthiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119399033

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-hydroxy-3-methoxy-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-hydroxy-3-methoxy-5-methylthiophene-2-carboxamide (CID 130778418) is 4-bromo-N-hydroxy-3-methoxy-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-hydroxy-3-methoxy-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-hydroxy-3-methoxy-5-methylthiophene-2-carboxamide is COc1c(C(=O)NO)sc(C)c1Br.
What is the InChIKey of 4-bromo-N-hydroxy-3-methoxy-5-methylthiophene-2-carboxamide?
The InChIKey is DWAIYYOLWOUCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO3S/c1-3-4(8)5(12-2)6(13-3)7(10)9-11/h11H,1-2H3,(H,9,10).
What are the key properties of 4-bromo-N-hydroxy-3-methoxy-5-methylthiophene-2-carboxamide?
4-bromo-N-hydroxy-3-methoxy-5-methylthiophene-2-carboxamide has a molecular weight of 266.12 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-hydroxy-3-methoxy-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 130778418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).