2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid

C17H19NO5S — CID 846571

IUPAC2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid
SMILESCOc1ccc(C)cc1N(CC(=O)O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO5S/c1-12-4-7-14(8-5-12)24(21,22)18(11-17(19)20)15-10-13(2)6-9-16(15)23-3/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyXHKZNQPUPAJKTR-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.59
Rot. Bonds6

About 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid

2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid (PubChem CID 846571) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid
PubChem CID846571
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid
SMILESCOc1ccc(C)cc1N(CC(=O)O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO5S/c1-12-4-7-14(8-5-12)24(21,22)18(11-17(19)20)15-10-13(2)6-9-16(15)23-3/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyXHKZNQPUPAJKTR-UHFFFAOYSA-N
XLogP2.59
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid?
The IUPAC name of 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid (CID 846571) is 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid.
What is the SMILES notation for 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid?
The canonical SMILES for 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid is COc1ccc(C)cc1N(CC(=O)O)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid?
The InChIKey is XHKZNQPUPAJKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-12-4-7-14(8-5-12)24(21,22)18(11-17(19)20)15-10-13(2)6-9-16(15)23-3/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid?
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid has a molecular weight of 349.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid is sourced from PubChem (CID 846571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).