N-methylsulfonyl-3-phenylpropanamide

C10H13NO3S — CID 47232700

IUPACN-methylsulfonyl-3-phenylpropanamide
SMILESCS(=O)(=O)NC(=O)CCc1ccccc1
InChIInChI=1S/C10H13NO3S/c1-15(13,14)11-10(12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)
InChIKeyWYWAFLSUBPMQTD-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.69
Rot. Bonds4

About N-methylsulfonyl-3-phenylpropanamide

N-methylsulfonyl-3-phenylpropanamide (PubChem CID 47232700) has the molecular formula C10H13NO3S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-methylsulfonyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-methylsulfonyl-3-phenylpropanamide
PubChem CID47232700
Molecular FormulaC10H13NO3S
Molecular Weight227.29 g/mol
Exact Mass227.06
IUPAC NameN-methylsulfonyl-3-phenylpropanamide
SMILESCS(=O)(=O)NC(=O)CCc1ccccc1
InChIInChI=1S/C10H13NO3S/c1-15(13,14)11-10(12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)
InChIKeyWYWAFLSUBPMQTD-UHFFFAOYSA-N
XLogP0.69
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-3-phenylpropanamide?
The IUPAC name of N-methylsulfonyl-3-phenylpropanamide (CID 47232700) is N-methylsulfonyl-3-phenylpropanamide.
What is the SMILES notation for N-methylsulfonyl-3-phenylpropanamide?
The canonical SMILES for N-methylsulfonyl-3-phenylpropanamide is CS(=O)(=O)NC(=O)CCc1ccccc1.
What is the InChIKey of N-methylsulfonyl-3-phenylpropanamide?
The InChIKey is WYWAFLSUBPMQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-15(13,14)11-10(12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12).
What are the key properties of N-methylsulfonyl-3-phenylpropanamide?
N-methylsulfonyl-3-phenylpropanamide has a molecular weight of 227.29 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-3-phenylpropanamide is sourced from PubChem (CID 47232700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).