(E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide

C22H21NO3S — CID 51313535

IUPAC(E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCC(NC(=O)/C=C/c1cccc2ccccc12)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C22H21NO3S/c1-16(17-10-13-20(14-11-17)27(2,25)26)23-22(24)15-12-19-8-5-7-18-6-3-4-9-21(18)19/h3-16H,1-2H3,(H,23,24)/b15-12+
InChIKeyPXKOPQIUSFLUEW-NTCAYCPXSA-N
MW379.48 g/mol
LogP4.13
Rot. Bonds5

About (E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide

(E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide (PubChem CID 51313535) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is (E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide
PubChem CID51313535
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name(E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCC(NC(=O)/C=C/c1cccc2ccccc12)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C22H21NO3S/c1-16(17-10-13-20(14-11-17)27(2,25)26)23-22(24)15-12-19-8-5-7-18-6-3-4-9-21(18)19/h3-16H,1-2H3,(H,23,24)/b15-12+
InChIKeyPXKOPQIUSFLUEW-NTCAYCPXSA-N
XLogP4.13
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.13
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

N-[4-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595068
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]prop-2-enamide
CID 51247281
(E)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide
CID 24688119
(E)-3-(3-chlorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]prop-2-enamide
CID 51247103
N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 17489088
(E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 134047995
(E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 55534896
2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43896263
(E)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]prop-2-enamide
CID 99998752
(E)-N-[1-(4-ethylphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide
CID 17327125
3-(2-fluorophenyl)-N-[1-(4-propan-2-ylphenyl)ethyl]prop-2-enamide
CID 4634324
(E)-3-(2-methylphenyl)-N-(1-naphthalen-2-ylethyl)prop-2-enamide
CID 20744344

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide (CID 51313535) is (E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide is CC(NC(=O)/C=C/c1cccc2ccccc12)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is PXKOPQIUSFLUEW-NTCAYCPXSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-16(17-10-13-20(14-11-17)27(2,25)26)23-22(24)15-12-19-8-5-7-18-6-3-4-9-21(18)19/h3-16H,1-2H3,(H,23,24)/b15-12+.
What are the key properties of (E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide?
(E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 379.48 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 51313535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).