2-methyl-3-(1-thiophen-2-ylethylamino)benzoic acid

C14H15NO2S — CID 43737318

IUPAC2-methyl-3-(1-thiophen-2-ylethylamino)benzoic acid
SMILESCc1c(NC(C)c2cccs2)cccc1C(=O)O
InChIInChI=1S/C14H15NO2S/c1-9-11(14(16)17)5-3-6-12(9)15-10(2)13-7-4-8-18-13/h3-8,10,15H,1-2H3,(H,16,17)
InChIKeyVIHINFQCLQPTBD-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.93
Rot. Bonds4

About 2-methyl-3-(1-thiophen-2-ylethylamino)benzoic acid

2-methyl-3-(1-thiophen-2-ylethylamino)benzoic acid (PubChem CID 43737318) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-methyl-3-(1-thiophen-2-ylethylamino)benzoic acid.

Molecular Properties

Compound Name2-methyl-3-(1-thiophen-2-ylethylamino)benzoic acid
PubChem CID43737318
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-methyl-3-(1-thiophen-2-ylethylamino)benzoic acid
SMILESCc1c(NC(C)c2cccs2)cccc1C(=O)O
InChIInChI=1S/C14H15NO2S/c1-9-11(14(16)17)5-3-6-12(9)15-10(2)13-7-4-8-18-13/h3-8,10,15H,1-2H3,(H,16,17)
InChIKeyVIHINFQCLQPTBD-UHFFFAOYSA-N
XLogP3.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[1-(4-methylphenyl)ethylamino]benzoic acid
CID 43737323
2-methylsulfanyl-6-(1-thiophen-2-ylethylamino)benzoic acid
CID 113386093
2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]benzoic acid
CID 43737282
5-nitro-2-(1-thiophen-2-ylethylamino)benzoic acid
CID 43399527
2-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzoic acid
CID 43789397
3-[1-(2,4-dibromophenyl)ethylamino]-2-methylbenzoic acid
CID 60782030
N,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide
CID 43734480
4-amino-3-(1-thiophen-2-ylethylamino)benzoic acid
CID 82785458
methyl 2-methyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzoate
CID 43714447
3-methylsulfonyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 82003449
2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 43534396
3-(2-carboxypropanoylamino)-2-methylbenzoic acid
CID 114898046

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-thiophen-2-ylethylamino)benzoic acid?
The IUPAC name of 2-methyl-3-(1-thiophen-2-ylethylamino)benzoic acid (CID 43737318) is 2-methyl-3-(1-thiophen-2-ylethylamino)benzoic acid.
What is the SMILES notation for 2-methyl-3-(1-thiophen-2-ylethylamino)benzoic acid?
The canonical SMILES for 2-methyl-3-(1-thiophen-2-ylethylamino)benzoic acid is Cc1c(NC(C)c2cccs2)cccc1C(=O)O.
What is the InChIKey of 2-methyl-3-(1-thiophen-2-ylethylamino)benzoic acid?
The InChIKey is VIHINFQCLQPTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-9-11(14(16)17)5-3-6-12(9)15-10(2)13-7-4-8-18-13/h3-8,10,15H,1-2H3,(H,16,17).
What are the key properties of 2-methyl-3-(1-thiophen-2-ylethylamino)benzoic acid?
2-methyl-3-(1-thiophen-2-ylethylamino)benzoic acid has a molecular weight of 261.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-thiophen-2-ylethylamino)benzoic acid is sourced from PubChem (CID 43737318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).