2-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid

C14H15NO2S — CID 39361394

IUPAC2-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid
SMILESCc1ccccc1N(CC(=O)O)Cc1cccs1
InChIInChI=1S/C14H15NO2S/c1-11-5-2-3-7-13(11)15(10-14(16)17)9-12-6-4-8-18-12/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyAKVJHPCGHIYIIY-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.15
Rot. Bonds5

About 2-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid

2-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid (PubChem CID 39361394) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid
PubChem CID39361394
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid
SMILESCc1ccccc1N(CC(=O)O)Cc1cccs1
InChIInChI=1S/C14H15NO2S/c1-11-5-2-3-7-13(11)15(10-14(16)17)9-12-6-4-8-18-12/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyAKVJHPCGHIYIIY-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-[2-fluoro-N-(thiophen-2-ylmethyl)anilino]acetic acid
CID 39364504
N'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 28770521
2-chloro-N-(2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 39380130
2-(2-methyl-N-propylanilino)acetic acid
CID 83559835
2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid
CID 63773832
2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid
CID 60833114
2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63647136
2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid
CID 107425908
2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid
CID 63775158
2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid
CID 175704817
2-[bis(thiophen-2-ylmethyl)carbamoyl-butylamino]acetic acid
CID 118113458
2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane
CID 90830010

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid?
The IUPAC name of 2-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid (CID 39361394) is 2-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid?
The canonical SMILES for 2-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid is Cc1ccccc1N(CC(=O)O)Cc1cccs1.
What is the InChIKey of 2-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid?
The InChIKey is AKVJHPCGHIYIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-11-5-2-3-7-13(11)15(10-14(16)17)9-12-6-4-8-18-12/h2-8H,9-10H2,1H3,(H,16,17).
What are the key properties of 2-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid?
2-[2-methyl-N-(thiophen-2-ylmethyl)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-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid is sourced from PubChem (CID 39361394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).