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-[(Thiophen-2-ylmethyl)-amino]-benzoic acid
CID 744861
2-(N-methylthiophene-2-amido)benzoic acid
CID 750789
2-(thiophen-3-ylmethylamino)benzoic Acid
CID 1939718
NEP inhibitor, 6k
CID 9797197
4-Methyl-3-{[(5-methyl-2-thienyl)methyl]amino}benzoic acid
CID 6492093
2-[(2-Thienylmethyl)amino]benzoic acid
CID 6472859
4-{[2-(Thiophen-2-yl)ethyl]amino}benzoic acid
CID 13079685
2-[(5-Methylthiophen-2-yl)methylamino]benzoic acid
CID 6492092
2-Thiophenecarboxylic acid, 3-(benzoylmethylamino)-5-phenyl-
CID 3008070
4-{[4-(Thiophen-2-YL)butyl]amino}benzoic acid
CID 13079678
4-Hexadecylamino-2-thiophenecarboxylic acid
CID 13134994
5-[Methyl-(3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56828992

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).