2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C16H18N2O4S — CID 749146

IUPAC2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(N)=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H18N2O4S/c1-12-7-9-13(10-8-12)23(20,21)18(11-16(17)19)14-5-3-4-6-15(14)22-2/h3-10H,11H2,1-2H3,(H2,17,19)
InChIKeyMLEZRQFKODXMOZ-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.68
Rot. Bonds6

About 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 749146) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID749146
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(N)=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H18N2O4S/c1-12-7-9-13(10-8-12)23(20,21)18(11-16(17)19)14-5-3-4-6-15(14)22-2/h3-10H,11H2,1-2H3,(H2,17,19)
InChIKeyMLEZRQFKODXMOZ-UHFFFAOYSA-N
XLogP1.68
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 749146) is 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1ccccc1N(CC(N)=O)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is MLEZRQFKODXMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-12-7-9-13(10-8-12)23(20,21)18(11-16(17)19)14-5-3-4-6-15(14)22-2/h3-10H,11H2,1-2H3,(H2,17,19).
What are the key properties of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 334.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 749146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).