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

C15H14BrNO3S — CID 81313381

IUPAC2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid
SMILESCc1cc(C(=O)NCc2ccccc2CC(=O)O)sc1Br
InChIInChI=1S/C15H14BrNO3S/c1-9-6-12(21-14(9)16)15(20)17-8-11-5-3-2-4-10(11)7-13(18)19/h2-6H,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyZLEGGUQTVUKXAV-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.38
Rot. Bonds5

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

2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid (PubChem CID 81313381) has the molecular formula C15H14BrNO3S and a molecular weight of 368.25 g/mol. Its IUPAC name is 2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid
PubChem CID81313381
Molecular FormulaC15H14BrNO3S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid
SMILESCc1cc(C(=O)NCc2ccccc2CC(=O)O)sc1Br
InChIInChI=1S/C15H14BrNO3S/c1-9-6-12(21-14(9)16)15(20)17-8-11-5-3-2-4-10(11)7-13(18)19/h2-6H,7-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyZLEGGUQTVUKXAV-UHFFFAOYSA-N
XLogP3.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-methyl-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
CID 79986288
5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide
CID 114296326
5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide
CID 79986981
5-bromo-N-(furan-3-ylmethyl)-4-methylthiophene-2-carboxamide
CID 115683147
5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-carboxamide
CID 79929368
4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 37399072
5-bromo-N-(2-bromopropyl)-4-methylthiophene-2-carboxamide
CID 114308613
2-[2-[[(4-methylthiophene-3-carbonyl)amino]methyl]phenyl]acetic acid
CID 81317829
3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427108
5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylthiophene-2-carboxamide
CID 112550092
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone
CID 114962510
5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
CID 79987282

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid (CID 81313381) is 2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid is Cc1cc(C(=O)NCc2ccccc2CC(=O)O)sc1Br.
What is the InChIKey of 2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid?
The InChIKey is ZLEGGUQTVUKXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3S/c1-9-6-12(21-14(9)16)15(20)17-8-11-5-3-2-4-10(11)7-13(18)19/h2-6H,7-8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid?
2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid has a molecular weight of 368.25 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 81313381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).