2-[N-[(5-methylthiophen-2-yl)methyl]anilino]acetic acid

C14H15NO2S — CID 65059622

IUPAC2-[N-[(5-methylthiophen-2-yl)methyl]anilino]acetic acid
SMILESCc1ccc(CN(CC(=O)O)c2ccccc2)s1
InChIInChI=1S/C14H15NO2S/c1-11-7-8-13(18-11)9-15(10-14(16)17)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyVOGJEQKBNZQZCZ-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.15
Rot. Bonds5

About 2-[N-[(5-methylthiophen-2-yl)methyl]anilino]acetic acid

2-[N-[(5-methylthiophen-2-yl)methyl]anilino]acetic acid (PubChem CID 65059622) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[N-[(5-methylthiophen-2-yl)methyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[(5-methylthiophen-2-yl)methyl]anilino]acetic acid
PubChem CID65059622
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-[N-[(5-methylthiophen-2-yl)methyl]anilino]acetic acid
SMILESCc1ccc(CN(CC(=O)O)c2ccccc2)s1
InChIInChI=1S/C14H15NO2S/c1-11-7-8-13(18-11)9-15(10-14(16)17)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyVOGJEQKBNZQZCZ-UHFFFAOYSA-N
XLogP3.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-[(5-bromothiophen-2-yl)methyl]-4-methylanilino]acetic acid
CID 60840253
2-[(5-methylthiophen-2-yl)methyl-propylamino]acetic acid
CID 65064587
2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]acetic acid
CID 65063855
2-[N-[(4-bromo-5-chlorothiophen-2-yl)methyl]anilino]acetic acid
CID 102844970
2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid
CID 65059194
2-[methyl-[2-(5-methylthiophen-2-yl)acetyl]amino]acetic acid
CID 115729823
2-[N-[(2-hydroxy-5-methylphenyl)methyl]anilino]acetic acid
CID 65056920
1-N-[(5-methylthiophen-2-yl)methyl]-1-N,4-N,4-N-triphenylpiperazine-1,4-dicarboxamide
CID 155473243
ethyl 2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]acetate
CID 3821334
2-(N-(3-hydroxy-3-methylbutyl)anilino)acetic acid
CID 79354763
N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]aniline
CID 107555656
[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl] N-[(5-methylthiophen-2-yl)methyl]-N-phenylcarbamate
CID 11646122

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(5-methylthiophen-2-yl)methyl]anilino]acetic acid?
The IUPAC name of 2-[N-[(5-methylthiophen-2-yl)methyl]anilino]acetic acid (CID 65059622) is 2-[N-[(5-methylthiophen-2-yl)methyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[(5-methylthiophen-2-yl)methyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[(5-methylthiophen-2-yl)methyl]anilino]acetic acid is Cc1ccc(CN(CC(=O)O)c2ccccc2)s1.
What is the InChIKey of 2-[N-[(5-methylthiophen-2-yl)methyl]anilino]acetic acid?
The InChIKey is VOGJEQKBNZQZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-11-7-8-13(18-11)9-15(10-14(16)17)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,16,17).
What are the key properties of 2-[N-[(5-methylthiophen-2-yl)methyl]anilino]acetic acid?
2-[N-[(5-methylthiophen-2-yl)methyl]anilino]acetic acid has a molecular weight of 261.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(5-methylthiophen-2-yl)methyl]anilino]acetic acid is sourced from PubChem (CID 65059622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).