3-[(4-methylphenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide

C19H23NO3S — CID 4119951

IUPAC3-[(4-methylphenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide
SMILESCc1ccc(CS(=O)(=O)CCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-16-7-9-18(10-8-16)15-24(22,23)14-12-19(21)20-13-11-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,20,21)
InChIKeyINLASPQNVKXPII-UHFFFAOYSA-N
MW345.46 g/mol
LogP2.66
Rot. Bonds8

About 3-[(4-methylphenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide

3-[(4-methylphenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide (PubChem CID 4119951) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide
PubChem CID4119951
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name3-[(4-methylphenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide
SMILESCc1ccc(CS(=O)(=O)CCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-16-7-9-18(10-8-16)15-24(22,23)14-12-19(21)20-13-11-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,20,21)
InChIKeyINLASPQNVKXPII-UHFFFAOYSA-N
XLogP2.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[(4-methylphenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide (CID 4119951) is 3-[(4-methylphenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[(4-methylphenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[(4-methylphenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide is Cc1ccc(CS(=O)(=O)CCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide?
The InChIKey is INLASPQNVKXPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-16-7-9-18(10-8-16)15-24(22,23)14-12-19(21)20-13-11-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,20,21).
What are the key properties of 3-[(4-methylphenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide?
3-[(4-methylphenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide has a molecular weight of 345.46 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methylsulfonyl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 4119951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).