2-(2-amino-N-(5-methylthiophen-2-yl)sulfonylanilino)acetic acid

C13H14N2O4S2 — CID 63118245

IUPAC2-(2-amino-N-(5-methylthiophen-2-yl)sulfonylanilino)acetic acid
SMILESCc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2N)s1
InChIInChI=1S/C13H14N2O4S2/c1-9-6-7-13(20-9)21(18,19)15(8-12(16)17)11-5-3-2-4-10(11)14/h2-7H,8,14H2,1H3,(H,16,17)
InChIKeyLKQXRIKIZSLDFS-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.92
Rot. Bonds5

About 2-(2-amino-N-(5-methylthiophen-2-yl)sulfonylanilino)acetic acid

2-(2-amino-N-(5-methylthiophen-2-yl)sulfonylanilino)acetic acid (PubChem CID 63118245) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(2-amino-N-(5-methylthiophen-2-yl)sulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-amino-N-(5-methylthiophen-2-yl)sulfonylanilino)acetic acid
PubChem CID63118245
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name2-(2-amino-N-(5-methylthiophen-2-yl)sulfonylanilino)acetic acid
SMILESCc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2N)s1
InChIInChI=1S/C13H14N2O4S2/c1-9-6-7-13(20-9)21(18,19)15(8-12(16)17)11-5-3-2-4-10(11)14/h2-7H,8,14H2,1H3,(H,16,17)
InChIKeyLKQXRIKIZSLDFS-UHFFFAOYSA-N
XLogP1.92
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-(5-methylthiophen-2-yl)sulfonylanilino)acetic acid?
The IUPAC name of 2-(2-amino-N-(5-methylthiophen-2-yl)sulfonylanilino)acetic acid (CID 63118245) is 2-(2-amino-N-(5-methylthiophen-2-yl)sulfonylanilino)acetic acid.
What is the SMILES notation for 2-(2-amino-N-(5-methylthiophen-2-yl)sulfonylanilino)acetic acid?
The canonical SMILES for 2-(2-amino-N-(5-methylthiophen-2-yl)sulfonylanilino)acetic acid is Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2N)s1.
What is the InChIKey of 2-(2-amino-N-(5-methylthiophen-2-yl)sulfonylanilino)acetic acid?
The InChIKey is LKQXRIKIZSLDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-9-6-7-13(20-9)21(18,19)15(8-12(16)17)11-5-3-2-4-10(11)14/h2-7H,8,14H2,1H3,(H,16,17).
What are the key properties of 2-(2-amino-N-(5-methylthiophen-2-yl)sulfonylanilino)acetic acid?
2-(2-amino-N-(5-methylthiophen-2-yl)sulfonylanilino)acetic acid has a molecular weight of 326.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-(5-methylthiophen-2-yl)sulfonylanilino)acetic acid is sourced from PubChem (CID 63118245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).