5-amino-2-[methyl-(2-thiophen-3-ylacetyl)amino]benzoic acid

C14H14N2O3S — CID 63116613

IUPAC5-amino-2-[methyl-(2-thiophen-3-ylacetyl)amino]benzoic acid
SMILESCN(C(=O)Cc1ccsc1)c1ccc(N)cc1C(=O)O
InChIInChI=1S/C14H14N2O3S/c1-16(13(17)6-9-4-5-20-8-9)12-3-2-10(15)7-11(12)14(18)19/h2-5,7-8H,6,15H2,1H3,(H,18,19)
InChIKeyFOVQQEZOXMXAAF-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.23
Rot. Bonds4

About 5-amino-2-[methyl-(2-thiophen-3-ylacetyl)amino]benzoic acid

5-amino-2-[methyl-(2-thiophen-3-ylacetyl)amino]benzoic acid (PubChem CID 63116613) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-amino-2-[methyl-(2-thiophen-3-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[methyl-(2-thiophen-3-ylacetyl)amino]benzoic acid
PubChem CID63116613
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name5-amino-2-[methyl-(2-thiophen-3-ylacetyl)amino]benzoic acid
SMILESCN(C(=O)Cc1ccsc1)c1ccc(N)cc1C(=O)O
InChIInChI=1S/C14H14N2O3S/c1-16(13(17)6-9-4-5-20-8-9)12-3-2-10(15)7-11(12)14(18)19/h2-5,7-8H,6,15H2,1H3,(H,18,19)
InChIKeyFOVQQEZOXMXAAF-UHFFFAOYSA-N
XLogP2.23
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[(3-ethylthiophene-2-carbonyl)-methylamino]benzoic acid
CID 79973489
5-amino-2-[methyl(octanoyl)amino]benzoic acid
CID 63116658
2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid
CID 65349872
5-amino-2-[methyl(3,4,4-trimethylpentanoyl)amino]benzoic acid
CID 63833561
methyl 5-amino-2-[methyl(thiophen-3-ylmethyl)amino]benzoate
CID 61306594
4-amino-2-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid
CID 102930944
5-amino-2-[1-carboxypropyl(methyl)amino]benzoic acid
CID 64660956
5-amino-2-[methyl(2-methylsulfonylethyl)amino]benzoic acid
CID 63116676
5-amino-2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 63116559
5-amino-2-[[3-(dimethylamino)-3-oxopropyl]-methylamino]benzoic acid
CID 63116577
5-bromo-2-[methyl(thiophen-3-ylmethyl)amino]benzoic acid
CID 114895625
N,N-diethyl-2-thiophen-3-ylacetamide
CID 60635955

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[methyl-(2-thiophen-3-ylacetyl)amino]benzoic acid?
The IUPAC name of 5-amino-2-[methyl-(2-thiophen-3-ylacetyl)amino]benzoic acid (CID 63116613) is 5-amino-2-[methyl-(2-thiophen-3-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 5-amino-2-[methyl-(2-thiophen-3-ylacetyl)amino]benzoic acid?
The canonical SMILES for 5-amino-2-[methyl-(2-thiophen-3-ylacetyl)amino]benzoic acid is CN(C(=O)Cc1ccsc1)c1ccc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-[methyl-(2-thiophen-3-ylacetyl)amino]benzoic acid?
The InChIKey is FOVQQEZOXMXAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-16(13(17)6-9-4-5-20-8-9)12-3-2-10(15)7-11(12)14(18)19/h2-5,7-8H,6,15H2,1H3,(H,18,19).
What are the key properties of 5-amino-2-[methyl-(2-thiophen-3-ylacetyl)amino]benzoic acid?
5-amino-2-[methyl-(2-thiophen-3-ylacetyl)amino]benzoic acid has a molecular weight of 290.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[methyl-(2-thiophen-3-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 63116613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).