N-methyl-3-phenyl-N-propylsulfonylpropanamide

C13H19NO3S — CID 71974699

IUPACN-methyl-3-phenyl-N-propylsulfonylpropanamide
SMILESCCCS(=O)(=O)N(C)C(=O)CCc1ccccc1
InChIInChI=1S/C13H19NO3S/c1-3-11-18(16,17)14(2)13(15)10-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3
InChIKeyRGYRGJBIBMFGCJ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.82
Rot. Bonds6

About N-methyl-3-phenyl-N-propylsulfonylpropanamide

N-methyl-3-phenyl-N-propylsulfonylpropanamide (PubChem CID 71974699) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-methyl-3-phenyl-N-propylsulfonylpropanamide.

Molecular Properties

Compound NameN-methyl-3-phenyl-N-propylsulfonylpropanamide
PubChem CID71974699
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-methyl-3-phenyl-N-propylsulfonylpropanamide
SMILESCCCS(=O)(=O)N(C)C(=O)CCc1ccccc1
InChIInChI=1S/C13H19NO3S/c1-3-11-18(16,17)14(2)13(15)10-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3
InChIKeyRGYRGJBIBMFGCJ-UHFFFAOYSA-N
XLogP1.82
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(Methylsulfonyl)-4-(3-phenylpropanoyl)piperazine
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N-methylsulfonyl-3-phenylpropanamide
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1-(4-Benzylsulfonylpiperazin-1-yl)-3-cyclopentylpropan-1-one
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N-(16-oxo-azacyclohexadec-5-yl)-1-phenylmethanesulfonamide
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N-(dimethylsulfamoyl)-3-phenylpropanamide
CID 47363067
2-ethyl-N-(2-phenylethylsulfonyl)butanamide
CID 53605931
1-(1,1-Dioxo-1,2-thiazolidin-2-yl)-3-[2-(trifluoromethyl)phenyl]butan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-N-propylsulfonylpropanamide?
The IUPAC name of N-methyl-3-phenyl-N-propylsulfonylpropanamide (CID 71974699) is N-methyl-3-phenyl-N-propylsulfonylpropanamide.
What is the SMILES notation for N-methyl-3-phenyl-N-propylsulfonylpropanamide?
The canonical SMILES for N-methyl-3-phenyl-N-propylsulfonylpropanamide is CCCS(=O)(=O)N(C)C(=O)CCc1ccccc1.
What is the InChIKey of N-methyl-3-phenyl-N-propylsulfonylpropanamide?
The InChIKey is RGYRGJBIBMFGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-3-11-18(16,17)14(2)13(15)10-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3.
What are the key properties of N-methyl-3-phenyl-N-propylsulfonylpropanamide?
N-methyl-3-phenyl-N-propylsulfonylpropanamide has a molecular weight of 269.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-N-propylsulfonylpropanamide is sourced from PubChem (CID 71974699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).