(E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide

C20H17NO3S — CID 55534896

IUPAC(E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C20H17NO3S/c1-25(23,24)19-12-5-4-11-18(19)21-20(22)14-13-16-9-6-8-15-7-2-3-10-17(15)16/h2-14H,1H3,(H,21,22)/b14-13+
InChIKeySVLOPQPUJUBKGR-BUHFOSPRSA-N
MW351.43 g/mol
LogP3.90
Rot. Bonds4

About (E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide

(E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide (PubChem CID 55534896) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is (E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide
PubChem CID55534896
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC Name(E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C20H17NO3S/c1-25(23,24)19-12-5-4-11-18(19)21-20(22)14-13-16-9-6-8-15-7-2-3-10-17(15)16/h2-14H,1H3,(H,21,22)/b14-13+
InChIKeySVLOPQPUJUBKGR-BUHFOSPRSA-N
XLogP3.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.90
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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Related Compounds

3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 55506917
N-[(2,3-dimethylphenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 3576339
(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 5178128
(E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 24592972
2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 6233859
(E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide
CID 51313535
(E)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 6234926
3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5177921
N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide
CID 4089044

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide (CID 55534896) is (E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide is CS(=O)(=O)c1ccccc1NC(=O)/C=C/c1cccc2ccccc12.
What is the InChIKey of (E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is SVLOPQPUJUBKGR-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-25(23,24)19-12-5-4-11-18(19)21-20(22)14-13-16-9-6-8-15-7-2-3-10-17(15)16/h2-14H,1H3,(H,21,22)/b14-13+.
What are the key properties of (E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide?
(E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 351.43 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 55534896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).