5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid

C15H17NO2S — CID 62516387

IUPAC5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid
SMILESCc1ccc(N(C)C(C)c2cccs2)c(C(=O)O)c1
InChIInChI=1S/C15H17NO2S/c1-10-6-7-13(12(9-10)15(17)18)16(3)11(2)14-5-4-8-19-14/h4-9,11H,1-3H3,(H,17,18)
InChIKeyOGDFQPADDMSYQI-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.95
Rot. Bonds4

About 5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid

5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid (PubChem CID 62516387) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid
PubChem CID62516387
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid
SMILESCc1ccc(N(C)C(C)c2cccs2)c(C(=O)O)c1
InChIInChI=1S/C15H17NO2S/c1-10-6-7-13(12(9-10)15(17)18)16(3)11(2)14-5-4-8-19-14/h4-9,11H,1-3H3,(H,17,18)
InChIKeyOGDFQPADDMSYQI-UHFFFAOYSA-N
XLogP3.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
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5-methyl-2-[methyl(3-methylbutan-2-yl)amino]benzoic acid
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2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methylbenzoic acid
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2-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylethyl)aniline
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2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
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ethane;5-methyl-2-[methyl(methylsulfinyl)amino]benzoic acid
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6-[methyl(1-thiophen-2-ylethyl)amino]pyridazine-3-carboxylic acid
CID 54981127
2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzoic acid
CID 56828599
2-methoxy-5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzoic acid
CID 65339650
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid
CID 62515880
5-amino-2-(dimethylamino)-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 61110537
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CID 54980798

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid?
The IUPAC name of 5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid (CID 62516387) is 5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid.
What is the SMILES notation for 5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid?
The canonical SMILES for 5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid is Cc1ccc(N(C)C(C)c2cccs2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid?
The InChIKey is OGDFQPADDMSYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10-6-7-13(12(9-10)15(17)18)16(3)11(2)14-5-4-8-19-14/h4-9,11H,1-3H3,(H,17,18).
What are the key properties of 5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid?
5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid has a molecular weight of 275.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid is sourced from PubChem (CID 62516387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).