2-(1-naphthalen-2-ylprop-2-enylsulfonyl)propanediamide

C16H16N2O4S — CID 174614341

IUPAC2-(1-naphthalen-2-ylprop-2-enylsulfonyl)propanediamide
SMILESC=CC(c1ccc2ccccc2c1)S(=O)(=O)C(C(N)=O)C(N)=O
InChIInChI=1S/C16H16N2O4S/c1-2-13(23(21,22)14(15(17)19)16(18)20)12-8-7-10-5-3-4-6-11(10)9-12/h2-9,13-14H,1H2,(H2,17,19)(H2,18,20)
InChIKeyPUHNZWRXEGBPCD-UHFFFAOYSA-N
MW332.38 g/mol
LogP0.82
Rot. Bonds6

About 2-(1-naphthalen-2-ylprop-2-enylsulfonyl)propanediamide

2-(1-naphthalen-2-ylprop-2-enylsulfonyl)propanediamide (PubChem CID 174614341) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-(1-naphthalen-2-ylprop-2-enylsulfonyl)propanediamide.

Molecular Properties

Compound Name2-(1-naphthalen-2-ylprop-2-enylsulfonyl)propanediamide
PubChem CID174614341
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name2-(1-naphthalen-2-ylprop-2-enylsulfonyl)propanediamide
SMILESC=CC(c1ccc2ccccc2c1)S(=O)(=O)C(C(N)=O)C(N)=O
InChIInChI=1S/C16H16N2O4S/c1-2-13(23(21,22)14(15(17)19)16(18)20)12-8-7-10-5-3-4-6-11(10)9-12/h2-9,13-14H,1H2,(H2,17,19)(H2,18,20)
InChIKeyPUHNZWRXEGBPCD-UHFFFAOYSA-N
XLogP0.82
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-naphthalen-2-ylprop-2-enylsulfonyl)propanediamide?
The IUPAC name of 2-(1-naphthalen-2-ylprop-2-enylsulfonyl)propanediamide (CID 174614341) is 2-(1-naphthalen-2-ylprop-2-enylsulfonyl)propanediamide.
What is the SMILES notation for 2-(1-naphthalen-2-ylprop-2-enylsulfonyl)propanediamide?
The canonical SMILES for 2-(1-naphthalen-2-ylprop-2-enylsulfonyl)propanediamide is C=CC(c1ccc2ccccc2c1)S(=O)(=O)C(C(N)=O)C(N)=O.
What is the InChIKey of 2-(1-naphthalen-2-ylprop-2-enylsulfonyl)propanediamide?
The InChIKey is PUHNZWRXEGBPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-2-13(23(21,22)14(15(17)19)16(18)20)12-8-7-10-5-3-4-6-11(10)9-12/h2-9,13-14H,1H2,(H2,17,19)(H2,18,20).
What are the key properties of 2-(1-naphthalen-2-ylprop-2-enylsulfonyl)propanediamide?
2-(1-naphthalen-2-ylprop-2-enylsulfonyl)propanediamide has a molecular weight of 332.38 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphthalen-2-ylprop-2-enylsulfonyl)propanediamide is sourced from PubChem (CID 174614341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).