N-[(E)-3-methylsulfonylprop-2-enyl]naphthalene-1-carboxamide

C15H15NO3S — CID 139029465

IUPACN-[(E)-3-methylsulfonylprop-2-enyl]naphthalene-1-carboxamide
SMILESCS(=O)(=O)/C=C/CNC(=O)c1cccc2ccccc12
InChIInChI=1S/C15H15NO3S/c1-20(18,19)11-5-10-16-15(17)14-9-4-7-12-6-2-3-8-13(12)14/h2-9,11H,10H2,1H3,(H,16,17)/b11-5+
InChIKeyVOSIZGFBFHJMIP-VZUCSPMQSA-N
MW289.36 g/mol
LogP2.13
Rot. Bonds4

About N-[(E)-3-methylsulfonylprop-2-enyl]naphthalene-1-carboxamide

N-[(E)-3-methylsulfonylprop-2-enyl]naphthalene-1-carboxamide (PubChem CID 139029465) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[(E)-3-methylsulfonylprop-2-enyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-methylsulfonylprop-2-enyl]naphthalene-1-carboxamide
PubChem CID139029465
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-[(E)-3-methylsulfonylprop-2-enyl]naphthalene-1-carboxamide
SMILESCS(=O)(=O)/C=C/CNC(=O)c1cccc2ccccc12
InChIInChI=1S/C15H15NO3S/c1-20(18,19)11-5-10-16-15(17)14-9-4-7-12-6-2-3-8-13(12)14/h2-9,11H,10H2,1H3,(H,16,17)/b11-5+
InChIKeyVOSIZGFBFHJMIP-VZUCSPMQSA-N
XLogP2.13
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide
CID 164824104
N-[[4-(methylsulfonylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 60535333
N-[(E)-pent-3-enyl]naphthalene-1-carboxamide
CID 113236419
ethane;N-ethylnaphthalene-1-carboxamide;propane
CID 144944456
N-(2-sulfamoylethyl)naphthalene-1-carboxamide
CID 61067529
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide
CID 108540776
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
N-(2-amino-2-oxoethyl)naphthalene-1-carboxamide
CID 4059241
methyl (E)-7-(naphthalene-1-carbonylamino)-6-oxohept-2-enoate
CID 158483247
N-dodecylnaphthalene-1-carboxamide
CID 4278758

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-methylsulfonylprop-2-enyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(E)-3-methylsulfonylprop-2-enyl]naphthalene-1-carboxamide (CID 139029465) is N-[(E)-3-methylsulfonylprop-2-enyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(E)-3-methylsulfonylprop-2-enyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(E)-3-methylsulfonylprop-2-enyl]naphthalene-1-carboxamide is CS(=O)(=O)/C=C/CNC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[(E)-3-methylsulfonylprop-2-enyl]naphthalene-1-carboxamide?
The InChIKey is VOSIZGFBFHJMIP-VZUCSPMQSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-20(18,19)11-5-10-16-15(17)14-9-4-7-12-6-2-3-8-13(12)14/h2-9,11H,10H2,1H3,(H,16,17)/b11-5+.
What are the key properties of N-[(E)-3-methylsulfonylprop-2-enyl]naphthalene-1-carboxamide?
N-[(E)-3-methylsulfonylprop-2-enyl]naphthalene-1-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-methylsulfonylprop-2-enyl]naphthalene-1-carboxamide is sourced from PubChem (CID 139029465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).