2-[2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenoxy]acetic acid

C14H12BrNO4S — CID 79975729

IUPAC2-[2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenoxy]acetic acid
SMILESCc1cc(C(=O)Nc2ccccc2OCC(=O)O)sc1Br
InChIInChI=1S/C14H12BrNO4S/c1-8-6-11(21-13(8)15)14(19)16-9-4-2-3-5-10(9)20-7-12(17)18/h2-6H,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyJERHHWKSLJMHMW-UHFFFAOYSA-N
MW370.22 g/mol
LogP3.53
Rot. Bonds5

About 2-[2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenoxy]acetic acid

2-[2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenoxy]acetic acid (PubChem CID 79975729) has the molecular formula C14H12BrNO4S and a molecular weight of 370.22 g/mol. Its IUPAC name is 2-[2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenoxy]acetic acid
PubChem CID79975729
Molecular FormulaC14H12BrNO4S
Molecular Weight370.22 g/mol
Exact Mass368.97
IUPAC Name2-[2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenoxy]acetic acid
SMILESCc1cc(C(=O)Nc2ccccc2OCC(=O)O)sc1Br
InChIInChI=1S/C14H12BrNO4S/c1-8-6-11(21-13(8)15)14(19)16-9-4-2-3-5-10(9)20-7-12(17)18/h2-6H,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyJERHHWKSLJMHMW-UHFFFAOYSA-N
XLogP3.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976427
N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 4820666
5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 79990193
5-bromo-4-methyl-N-[2-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 79998270
2-[2-[(5-methylfuran-3-carbonyl)amino]phenoxy]acetic acid
CID 114819008
N-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 86999840
2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid
CID 63747201
4,5-dibromo-N-(2-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 39498025
2-[2-(3-methylbut-2-enoylamino)phenoxy]acetic acid
CID 55241875
5-bromo-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 79981101
2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid
CID 81313381
2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid
CID 62534584

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenoxy]acetic acid (CID 79975729) is 2-[2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenoxy]acetic acid is Cc1cc(C(=O)Nc2ccccc2OCC(=O)O)sc1Br.
What is the InChIKey of 2-[2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is JERHHWKSLJMHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4S/c1-8-6-11(21-13(8)15)14(19)16-9-4-2-3-5-10(9)20-7-12(17)18/h2-6H,7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-[2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenoxy]acetic acid?
2-[2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 370.22 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 79975729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).