4-[methyl(2-phenylethyl)amino]thiophene-2-carboxylic acid

C14H15NO2S — CID 113403985

IUPAC4-[methyl(2-phenylethyl)amino]thiophene-2-carboxylic acid
SMILESCN(CCc1ccccc1)c1csc(C(=O)O)c1
InChIInChI=1S/C14H15NO2S/c1-15(8-7-11-5-3-2-4-6-11)12-9-13(14(16)17)18-10-12/h2-6,9-10H,7-8H2,1H3,(H,16,17)
InChIKeyYXJUGVFQERDYCL-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.13
Rot. Bonds5

About 4-[methyl(2-phenylethyl)amino]thiophene-2-carboxylic acid

4-[methyl(2-phenylethyl)amino]thiophene-2-carboxylic acid (PubChem CID 113403985) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-[methyl(2-phenylethyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(2-phenylethyl)amino]thiophene-2-carboxylic acid
PubChem CID113403985
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name4-[methyl(2-phenylethyl)amino]thiophene-2-carboxylic acid
SMILESCN(CCc1ccccc1)c1csc(C(=O)O)c1
InChIInChI=1S/C14H15NO2S/c1-15(8-7-11-5-3-2-4-6-11)12-9-13(14(16)17)18-10-12/h2-6,9-10H,7-8H2,1H3,(H,16,17)
InChIKeyYXJUGVFQERDYCL-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61068586
4-[(4-methoxyphenyl)methyl-methylamino]thiophene-2-carboxylic acid
CID 113403958
N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107020696
4-[methyl(2-phenylethyl)amino]pyridine-2-carboxamide
CID 75509679
4-[methyl(2-phenylethyl)amino]benzaldehyde
CID 65487426
4-(benzylamino)thiophene-2-carboxylic acid;ethane
CID 169152149
3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
CID 82537728
4-(N-ethyl-3-fluoroanilino)thiophene-2-carboxylic acid
CID 113403969
ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate
CID 59859894
N-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide
CID 107022163
5-methyl-2-[methyl(2-phenylethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 115424607
3-[[methyl(2-phenylethyl)amino]methyl]thiophene-2-carboxylic acid
CID 65488572

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-phenylethyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 4-[methyl(2-phenylethyl)amino]thiophene-2-carboxylic acid (CID 113403985) is 4-[methyl(2-phenylethyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[methyl(2-phenylethyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[methyl(2-phenylethyl)amino]thiophene-2-carboxylic acid is CN(CCc1ccccc1)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[methyl(2-phenylethyl)amino]thiophene-2-carboxylic acid?
The InChIKey is YXJUGVFQERDYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-15(8-7-11-5-3-2-4-6-11)12-9-13(14(16)17)18-10-12/h2-6,9-10H,7-8H2,1H3,(H,16,17).
What are the key properties of 4-[methyl(2-phenylethyl)amino]thiophene-2-carboxylic acid?
4-[methyl(2-phenylethyl)amino]thiophene-2-carboxylic acid has a molecular weight of 261.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-phenylethyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 113403985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).