3-(benzenesulfonyl)-N,2-dimethyl-N-phenylpropanamide

C17H19NO3S — CID 164668199

IUPAC3-(benzenesulfonyl)-N,2-dimethyl-N-phenylpropanamide
SMILESCC(CS(=O)(=O)c1ccccc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-14(13-22(20,21)16-11-7-4-8-12-16)17(19)18(2)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3
InChIKeyRHEVEUZTJDHECN-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.76
Rot. Bonds5

About 3-(benzenesulfonyl)-N,2-dimethyl-N-phenylpropanamide

3-(benzenesulfonyl)-N,2-dimethyl-N-phenylpropanamide (PubChem CID 164668199) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N,2-dimethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N,2-dimethyl-N-phenylpropanamide
PubChem CID164668199
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name3-(benzenesulfonyl)-N,2-dimethyl-N-phenylpropanamide
SMILESCC(CS(=O)(=O)c1ccccc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-14(13-22(20,21)16-11-7-4-8-12-16)17(19)18(2)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3
InChIKeyRHEVEUZTJDHECN-UHFFFAOYSA-N
XLogP2.76
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[4-[4-(2,2-dimethylpropanoylamino)phenyl]sulfonylphenyl]-2,2-dimethylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N,2-dimethyl-N-phenylpropanamide?
The IUPAC name of 3-(benzenesulfonyl)-N,2-dimethyl-N-phenylpropanamide (CID 164668199) is 3-(benzenesulfonyl)-N,2-dimethyl-N-phenylpropanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N,2-dimethyl-N-phenylpropanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N,2-dimethyl-N-phenylpropanamide is CC(CS(=O)(=O)c1ccccc1)C(=O)N(C)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N,2-dimethyl-N-phenylpropanamide?
The InChIKey is RHEVEUZTJDHECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-14(13-22(20,21)16-11-7-4-8-12-16)17(19)18(2)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3.
What are the key properties of 3-(benzenesulfonyl)-N,2-dimethyl-N-phenylpropanamide?
3-(benzenesulfonyl)-N,2-dimethyl-N-phenylpropanamide has a molecular weight of 317.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N,2-dimethyl-N-phenylpropanamide is sourced from PubChem (CID 164668199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).