2-(benzenesulfonyl)-2-methyl-N-(3-phenylpropyl)propanamide

C19H23NO3S — CID 155557565

IUPAC2-(benzenesulfonyl)-2-methyl-N-(3-phenylpropyl)propanamide
SMILESCC(C)(C(=O)NCCCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23NO3S/c1-19(2,24(22,23)17-13-7-4-8-14-17)18(21)20-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14H,9,12,15H2,1-2H3,(H,20,21)
InChIKeyZRTWTRZAPGYULL-UHFFFAOYSA-N
MW345.46 g/mol
LogP2.99
Rot. Bonds7

About 2-(benzenesulfonyl)-2-methyl-N-(3-phenylpropyl)propanamide

2-(benzenesulfonyl)-2-methyl-N-(3-phenylpropyl)propanamide (PubChem CID 155557565) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2-methyl-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2-methyl-N-(3-phenylpropyl)propanamide
PubChem CID155557565
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-(benzenesulfonyl)-2-methyl-N-(3-phenylpropyl)propanamide
SMILESCC(C)(C(=O)NCCCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23NO3S/c1-19(2,24(22,23)17-13-7-4-8-14-17)18(21)20-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14H,9,12,15H2,1-2H3,(H,20,21)
InChIKeyZRTWTRZAPGYULL-UHFFFAOYSA-N
XLogP2.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-phenylpropyl)propanamide?
The IUPAC name of 2-(benzenesulfonyl)-2-methyl-N-(3-phenylpropyl)propanamide (CID 155557565) is 2-(benzenesulfonyl)-2-methyl-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 2-(benzenesulfonyl)-2-methyl-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 2-(benzenesulfonyl)-2-methyl-N-(3-phenylpropyl)propanamide is CC(C)(C(=O)NCCCc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-2-methyl-N-(3-phenylpropyl)propanamide?
The InChIKey is ZRTWTRZAPGYULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-19(2,24(22,23)17-13-7-4-8-14-17)18(21)20-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14H,9,12,15H2,1-2H3,(H,20,21).
What are the key properties of 2-(benzenesulfonyl)-2-methyl-N-(3-phenylpropyl)propanamide?
2-(benzenesulfonyl)-2-methyl-N-(3-phenylpropyl)propanamide has a molecular weight of 345.46 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2-methyl-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 155557565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).