5-amino-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid

C14H14ClNO3S — CID 69371408

IUPAC5-amino-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid
SMILESCc1c(N)sc(C(=O)O)c1OC(C)c1ccccc1Cl
InChIInChI=1S/C14H14ClNO3S/c1-7-11(12(14(17)18)20-13(7)16)19-8(2)9-5-3-4-6-10(9)15/h3-6,8H,16H2,1-2H3,(H,17,18)
InChIKeyAUWPHZIRSYHIKM-UHFFFAOYSA-N
MW311.79 g/mol
LogP4.13
Rot. Bonds4

About 5-amino-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid

5-amino-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid (PubChem CID 69371408) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is 5-amino-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid
PubChem CID69371408
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC Name5-amino-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid
SMILESCc1c(N)sc(C(=O)O)c1OC(C)c1ccccc1Cl
InChIInChI=1S/C14H14ClNO3S/c1-7-11(12(14(17)18)20-13(7)16)19-8(2)9-5-3-4-6-10(9)15/h3-6,8H,16H2,1-2H3,(H,17,18)
InChIKeyAUWPHZIRSYHIKM-UHFFFAOYSA-N
XLogP4.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[(2-methylpropan-2-yl)oxycarbonyl]thiophene-2,3-dicarboxylic acid
CID 67430622
5-[6-(benzhydrylideneamino)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid
CID 87396623
3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
CID 141145970
[(1R)-1-(2-chlorophenyl)ethyl] carbamate
CID 89448731
2-amino-3-(2-chlorophenyl)-2-methylbutanoic acid
CID 118914338
2-[1-(2-chlorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569922
3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-8-methylimidazo[1,2-a]pyridine-7-carboxylic acid
CID 67431627
[(1R)-1-(2-chlorophenyl)ethyl] butanoate
CID 141384028
3-[(1R)-1-(2-chlorophenyl)ethoxy]-4-[2-nitro-4-(trifluoromethoxy)anilino]thiophene-2-carboxylic acid
CID 68715026
[2-carbamoyloxy-1-(2-chlorophenyl)propyl]carbamic acid
CID 175407136
methyl 3-[1-(2-chlorophenyl)ethoxy]-5-(2-cyanoacetyl)thiophene-2-carboxylate
CID 66730324
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-chloro-5-(2-trimethylsilylethoxy)benzimidazol-1-yl]thiophene-2-carboxylic acid
CID 69273241

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-amino-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid (CID 69371408) is 5-amino-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-amino-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-amino-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid is Cc1c(N)sc(C(=O)O)c1OC(C)c1ccccc1Cl.
What is the InChIKey of 5-amino-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid?
The InChIKey is AUWPHZIRSYHIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-7-11(12(14(17)18)20-13(7)16)19-8(2)9-5-3-4-6-10(9)15/h3-6,8H,16H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid?
5-amino-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid has a molecular weight of 311.79 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 69371408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).