2-(benzenesulfonyl)-2-methyl-N-(2-phenoxyethyl)propanamide

C18H21NO4S — CID 155561831

IUPAC2-(benzenesulfonyl)-2-methyl-N-(2-phenoxyethyl)propanamide
SMILESCC(C)(C(=O)NCCOc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H21NO4S/c1-18(2,24(21,22)16-11-7-4-8-12-16)17(20)19-13-14-23-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3,(H,19,20)
InChIKeyQFIQBFQPAQVKLM-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.43
Rot. Bonds7

About 2-(benzenesulfonyl)-2-methyl-N-(2-phenoxyethyl)propanamide

2-(benzenesulfonyl)-2-methyl-N-(2-phenoxyethyl)propanamide (PubChem CID 155561831) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2-methyl-N-(2-phenoxyethyl)propanamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2-methyl-N-(2-phenoxyethyl)propanamide
PubChem CID155561831
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name2-(benzenesulfonyl)-2-methyl-N-(2-phenoxyethyl)propanamide
SMILESCC(C)(C(=O)NCCOc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H21NO4S/c1-18(2,24(21,22)16-11-7-4-8-12-16)17(20)19-13-14-23-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3,(H,19,20)
InChIKeyQFIQBFQPAQVKLM-UHFFFAOYSA-N
XLogP2.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2-methyl-N-(2-phenoxyethyl)propanamide?
The IUPAC name of 2-(benzenesulfonyl)-2-methyl-N-(2-phenoxyethyl)propanamide (CID 155561831) is 2-(benzenesulfonyl)-2-methyl-N-(2-phenoxyethyl)propanamide.
What is the SMILES notation for 2-(benzenesulfonyl)-2-methyl-N-(2-phenoxyethyl)propanamide?
The canonical SMILES for 2-(benzenesulfonyl)-2-methyl-N-(2-phenoxyethyl)propanamide is CC(C)(C(=O)NCCOc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-2-methyl-N-(2-phenoxyethyl)propanamide?
The InChIKey is QFIQBFQPAQVKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-18(2,24(21,22)16-11-7-4-8-12-16)17(20)19-13-14-23-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3,(H,19,20).
What are the key properties of 2-(benzenesulfonyl)-2-methyl-N-(2-phenoxyethyl)propanamide?
2-(benzenesulfonyl)-2-methyl-N-(2-phenoxyethyl)propanamide has a molecular weight of 347.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2-methyl-N-(2-phenoxyethyl)propanamide is sourced from PubChem (CID 155561831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).