5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid

C11H8BrNO4S — CID 16792115

IUPAC5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2ccc(Br)o2)sc1C(=O)O
InChIInChI=1S/C11H8BrNO4S/c1-5-4-8(18-9(5)11(15)16)13-10(14)6-2-3-7(12)17-6/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeySDIROUOGSABNOH-UHFFFAOYSA-N
MW330.16 g/mol
LogP3.36
Rot. Bonds3

About 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid

5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid (PubChem CID 16792115) has the molecular formula C11H8BrNO4S and a molecular weight of 330.16 g/mol. Its IUPAC name is 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
PubChem CID16792115
Molecular FormulaC11H8BrNO4S
Molecular Weight330.16 g/mol
Exact Mass328.94
IUPAC Name5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2ccc(Br)o2)sc1C(=O)O
InChIInChI=1S/C11H8BrNO4S/c1-5-4-8(18-9(5)11(15)16)13-10(14)6-2-3-7(12)17-6/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeySDIROUOGSABNOH-UHFFFAOYSA-N
XLogP3.36
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 16787412
5-(furan-3-carbonylamino)-3-methylthiophene-2-carboxylic acid
CID 16773361
5-[(5-bromofuran-2-carbonyl)amino]-2-methylbenzoic acid
CID 63652798
5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 107986401
5-[(2-bromo-5-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16772744
5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16772531
ethyl 5-[(5-chlorofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate
CID 43406103
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 28550112
3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 16771575
5-bromo-N-(4-methylthiophen-3-yl)furan-2-carboxamide
CID 130992843
3-methyl-5-[(4-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid
CID 16771048

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid (CID 16792115) is 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid is Cc1cc(NC(=O)c2ccc(Br)o2)sc1C(=O)O.
What is the InChIKey of 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is SDIROUOGSABNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO4S/c1-5-4-8(18-9(5)11(15)16)13-10(14)6-2-3-7(12)17-6/h2-4H,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 330.16 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 16792115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).