N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide

C15H15NO4S — CID 829874

IUPACN-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C15H15NO4S/c1-12-7-9-14(10-8-12)21(18,19)16-15(17)11-20-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17)
InChIKeyPAEAZBRZRLRWIS-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.88
Rot. Bonds5

About N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide

N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide (PubChem CID 829874) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
PubChem CID829874
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC NameN-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C15H15NO4S/c1-12-7-9-14(10-8-12)21(18,19)16-15(17)11-20-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17)
InChIKeyPAEAZBRZRLRWIS-UHFFFAOYSA-N
XLogP1.88
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide (CID 829874) is N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide is Cc1ccc(S(=O)(=O)NC(=O)COc2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide?
The InChIKey is PAEAZBRZRLRWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-12-7-9-14(10-8-12)21(18,19)16-15(17)11-20-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17).
What are the key properties of N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide?
N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide has a molecular weight of 305.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide is sourced from PubChem (CID 829874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).