5-[(N-ethyl-2-methylanilino)methyl]thiophene-2-carboxylic acid

C15H17NO2S — CID 63378349

IUPAC5-[(N-ethyl-2-methylanilino)methyl]thiophene-2-carboxylic acid
SMILESCCN(Cc1ccc(C(=O)O)s1)c1ccccc1C
InChIInChI=1S/C15H17NO2S/c1-3-16(13-7-5-4-6-11(13)2)10-12-8-9-14(19-12)15(17)18/h4-9H,3,10H2,1-2H3,(H,17,18)
InChIKeyKPGOAOFPZIDXPO-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.78
Rot. Bonds5

About 5-[(N-ethyl-2-methylanilino)methyl]thiophene-2-carboxylic acid

5-[(N-ethyl-2-methylanilino)methyl]thiophene-2-carboxylic acid (PubChem CID 63378349) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 5-[(N-ethyl-2-methylanilino)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(N-ethyl-2-methylanilino)methyl]thiophene-2-carboxylic acid
PubChem CID63378349
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name5-[(N-ethyl-2-methylanilino)methyl]thiophene-2-carboxylic acid
SMILESCCN(Cc1ccc(C(=O)O)s1)c1ccccc1C
InChIInChI=1S/C15H17NO2S/c1-3-16(13-7-5-4-6-11(13)2)10-12-8-9-14(19-12)15(17)18/h4-9H,3,10H2,1-2H3,(H,17,18)
InChIKeyKPGOAOFPZIDXPO-UHFFFAOYSA-N
XLogP3.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(N-ethyl-4-fluoroanilino)methyl]thiophene-2-carboxylic acid
CID 63378156
5-[[(5-chloro-3-pyridinyl)-ethylamino]methyl]thiophene-2-carboxylic acid
CID 123741284
5-[(N,3,5-trimethylanilino)methyl]thiophene-2-carboxylic acid
CID 63378033
5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid
CID 63378189
methyl 3-[(N-ethyl-2-methylanilino)methyl]furan-2-carboxylate
CID 78902588
5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]thiophene-2-carboxylic acid
CID 103189702
4-(N-ethyl-2-methylanilino)butan-2-one
CID 28948801
N-ethyl-5-[(N-ethyl-2-methylanilino)methyl]-1,3-thiazol-2-amine
CID 79771341
2-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid
CID 39361394
1-(2,5-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228322
4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid
CID 82777293
5-[(3-fluoro-N-methylanilino)methyl]thiophene-2-carboxylic acid
CID 55183444

Frequently Asked Questions

What is the IUPAC name of 5-[(N-ethyl-2-methylanilino)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(N-ethyl-2-methylanilino)methyl]thiophene-2-carboxylic acid (CID 63378349) is 5-[(N-ethyl-2-methylanilino)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(N-ethyl-2-methylanilino)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(N-ethyl-2-methylanilino)methyl]thiophene-2-carboxylic acid is CCN(Cc1ccc(C(=O)O)s1)c1ccccc1C.
What is the InChIKey of 5-[(N-ethyl-2-methylanilino)methyl]thiophene-2-carboxylic acid?
The InChIKey is KPGOAOFPZIDXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-3-16(13-7-5-4-6-11(13)2)10-12-8-9-14(19-12)15(17)18/h4-9H,3,10H2,1-2H3,(H,17,18).
What are the key properties of 5-[(N-ethyl-2-methylanilino)methyl]thiophene-2-carboxylic acid?
5-[(N-ethyl-2-methylanilino)methyl]thiophene-2-carboxylic acid has a molecular weight of 275.37 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N-ethyl-2-methylanilino)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63378349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).