2-methyl-N-naphthalen-1-ylsulfonylprop-2-enamide

C14H13NO3S — CID 70189400

IUPAC2-methyl-N-naphthalen-1-ylsulfonylprop-2-enamide
SMILESC=C(C)C(=O)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H13NO3S/c1-10(2)14(16)15-19(17,18)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1H2,2H3,(H,15,16)
InChIKeyFOVLTMRDPUVSQV-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.22
Rot. Bonds3

About 2-methyl-N-naphthalen-1-ylsulfonylprop-2-enamide

2-methyl-N-naphthalen-1-ylsulfonylprop-2-enamide (PubChem CID 70189400) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-methyl-N-naphthalen-1-ylsulfonylprop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-naphthalen-1-ylsulfonylprop-2-enamide
PubChem CID70189400
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name2-methyl-N-naphthalen-1-ylsulfonylprop-2-enamide
SMILESC=C(C)C(=O)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C14H13NO3S/c1-10(2)14(16)15-19(17,18)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1H2,2H3,(H,15,16)
InChIKeyFOVLTMRDPUVSQV-UHFFFAOYSA-N
XLogP2.22
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-naphthalen-1-ylsulfonylprop-2-enamide?
The IUPAC name of 2-methyl-N-naphthalen-1-ylsulfonylprop-2-enamide (CID 70189400) is 2-methyl-N-naphthalen-1-ylsulfonylprop-2-enamide.
What is the SMILES notation for 2-methyl-N-naphthalen-1-ylsulfonylprop-2-enamide?
The canonical SMILES for 2-methyl-N-naphthalen-1-ylsulfonylprop-2-enamide is C=C(C)C(=O)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-N-naphthalen-1-ylsulfonylprop-2-enamide?
The InChIKey is FOVLTMRDPUVSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-10(2)14(16)15-19(17,18)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1H2,2H3,(H,15,16).
What are the key properties of 2-methyl-N-naphthalen-1-ylsulfonylprop-2-enamide?
2-methyl-N-naphthalen-1-ylsulfonylprop-2-enamide has a molecular weight of 275.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-naphthalen-1-ylsulfonylprop-2-enamide is sourced from PubChem (CID 70189400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).