2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid

C17H19NO5S — CID 838667

IUPAC2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO5S/c1-12-4-7-14(8-5-12)18(11-17(19)20)24(21,22)16-10-13(2)6-9-15(16)23-3/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyYROGTBRPYLLJGG-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.59
Rot. Bonds6

About 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid

2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid (PubChem CID 838667) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid
PubChem CID838667
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO5S/c1-12-4-7-14(8-5-12)18(11-17(19)20)24(21,22)16-10-13(2)6-9-15(16)23-3/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyYROGTBRPYLLJGG-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

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Related Compounds

2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetic acid
CID 1022049
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide
CID 126395330
2-(4-fluoro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 2988323
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide
CID 100796017
N-(4-acetamidophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126393004
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide
CID 100796962
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 126395506
N-(2,6-dichlorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126394431
2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 2992480
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 126391900
4-[[2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetyl]amino]benzamide
CID 126394467
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 126393780

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid?
The IUPAC name of 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid (CID 838667) is 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid.
What is the SMILES notation for 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid?
The canonical SMILES for 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)c1ccc(C)cc1.
What is the InChIKey of 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid?
The InChIKey is YROGTBRPYLLJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-12-4-7-14(8-5-12)18(11-17(19)20)24(21,22)16-10-13(2)6-9-15(16)23-3/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid?
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)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-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid is sourced from PubChem (CID 838667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).