(Z)-5-bromo-6-(4-methylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)hex-5-enamide

C24H24BrNO3S — CID 100947611

IUPAC(Z)-5-bromo-6-(4-methylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)hex-5-enamide
SMILESCc1ccc(S(=O)(=O)/C=C(\Br)CCCC(=O)NCc2cccc3ccccc23)cc1
InChIInChI=1S/C24H24BrNO3S/c1-18-12-14-22(15-13-18)30(28,29)17-21(25)9-5-11-24(27)26-16-20-8-4-7-19-6-2-3-10-23(19)20/h2-4,6-8,10,12-15,17H,5,9,11,16H2,1H3,(H,26,27)/b21-17-
InChIKeyLYIYOKIZGNTJHG-FXBPSFAMSA-N
MW486.43 g/mol
LogP5.64
Rot. Bonds8

About (Z)-5-bromo-6-(4-methylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)hex-5-enamide

(Z)-5-bromo-6-(4-methylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)hex-5-enamide (PubChem CID 100947611) has the molecular formula C24H24BrNO3S and a molecular weight of 486.43 g/mol. Its IUPAC name is (Z)-5-bromo-6-(4-methylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)hex-5-enamide.

Molecular Properties

Compound Name(Z)-5-bromo-6-(4-methylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)hex-5-enamide
PubChem CID100947611
Molecular FormulaC24H24BrNO3S
Molecular Weight486.43 g/mol
Exact Mass485.07
IUPAC Name(Z)-5-bromo-6-(4-methylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)hex-5-enamide
SMILESCc1ccc(S(=O)(=O)/C=C(\Br)CCCC(=O)NCc2cccc3ccccc23)cc1
InChIInChI=1S/C24H24BrNO3S/c1-18-12-14-22(15-13-18)30(28,29)17-21(25)9-5-11-24(27)26-16-20-8-4-7-19-6-2-3-10-23(19)20/h2-4,6-8,10,12-15,17H,5,9,11,16H2,1H3,(H,26,27)/b21-17-
InChIKeyLYIYOKIZGNTJHG-FXBPSFAMSA-N
XLogP5.64
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.43
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(naphthalen-1-ylmethyl)-4-oxopentanamide
CID 62063999
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2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100792569
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100793679
N,4-dimethyl-N-[2-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 27681328
3-(tert-butylamino)-N-(naphthalen-1-ylmethyl)propanamide
CID 62369453
(2S)-N'-tert-butyl-2-[(4-methylphenyl)sulfonylamino]-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-sulfanylidenepropan-2-yl]pentanediamide
CID 118899194
2-(tert-butylamino)-N-(naphthalen-1-ylmethyl)acetamide
CID 47185263
2-fluoro-N-(naphthalen-1-ylmethyl)acetamide
CID 141003098
2-amino-N-(naphthalen-1-ylmethyl)acetamide
CID 62369786
2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17408196
2-(ethylamino)-N-(naphthalen-1-ylmethyl)acetamide
CID 55068383

Frequently Asked Questions

What is the IUPAC name of (Z)-5-bromo-6-(4-methylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)hex-5-enamide?
The IUPAC name of (Z)-5-bromo-6-(4-methylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)hex-5-enamide (CID 100947611) is (Z)-5-bromo-6-(4-methylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)hex-5-enamide.
What is the SMILES notation for (Z)-5-bromo-6-(4-methylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)hex-5-enamide?
The canonical SMILES for (Z)-5-bromo-6-(4-methylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)hex-5-enamide is Cc1ccc(S(=O)(=O)/C=C(\Br)CCCC(=O)NCc2cccc3ccccc23)cc1.
What is the InChIKey of (Z)-5-bromo-6-(4-methylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)hex-5-enamide?
The InChIKey is LYIYOKIZGNTJHG-FXBPSFAMSA-N. The full InChI is InChI=1S/C24H24BrNO3S/c1-18-12-14-22(15-13-18)30(28,29)17-21(25)9-5-11-24(27)26-16-20-8-4-7-19-6-2-3-10-23(19)20/h2-4,6-8,10,12-15,17H,5,9,11,16H2,1H3,(H,26,27)/b21-17-.
What are the key properties of (Z)-5-bromo-6-(4-methylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)hex-5-enamide?
(Z)-5-bromo-6-(4-methylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)hex-5-enamide has a molecular weight of 486.43 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-bromo-6-(4-methylphenyl)sulfonyl-N-(naphthalen-1-ylmethyl)hex-5-enamide is sourced from PubChem (CID 100947611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).