N-[(4-bromophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpropanamide

C19H20BrNO3S — CID 162122790

IUPACN-[(4-bromophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpropanamide
SMILESCc1ccc(/C=C/S(=O)(=O)CCC(=O)NCc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H20BrNO3S/c1-15-2-4-16(5-3-15)10-12-25(23,24)13-11-19(22)21-14-17-6-8-18(20)9-7-17/h2-10,12H,11,13-14H2,1H3,(H,21,22)/b12-10+
InChIKeyZHQBHTWSEGXCSX-ZRDIBKRKSA-N
MW422.34 g/mol
LogP3.85
Rot. Bonds7

About N-[(4-bromophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpropanamide

N-[(4-bromophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpropanamide (PubChem CID 162122790) has the molecular formula C19H20BrNO3S and a molecular weight of 422.34 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpropanamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpropanamide
PubChem CID162122790
Molecular FormulaC19H20BrNO3S
Molecular Weight422.34 g/mol
Exact Mass421.03
IUPAC NameN-[(4-bromophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpropanamide
SMILESCc1ccc(/C=C/S(=O)(=O)CCC(=O)NCc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H20BrNO3S/c1-15-2-4-16(5-3-15)10-12-25(23,24)13-11-19(22)21-14-17-6-8-18(20)9-7-17/h2-10,12H,11,13-14H2,1H3,(H,21,22)/b12-10+
InChIKeyZHQBHTWSEGXCSX-ZRDIBKRKSA-N
XLogP3.85
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 7995029
N-[(4-bromophenyl)methyl]butanamide
CID 22503328
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-[(4-bromophenyl)methyl]-3-hydroxypropanamide
CID 115138976
N-[(4-bromophenyl)methyl]octanamide
CID 60582799
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 100759222
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
2-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide
CID 42962647
3-(4-bromophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
CID 3477779
4-(4-bromophenyl)-1-[(E)-2-(4-bromophenyl)ethenyl]sulfonylbut-3-en-2-one
CID 173174217
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43874567

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpropanamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpropanamide (CID 162122790) is N-[(4-bromophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpropanamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpropanamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpropanamide is Cc1ccc(/C=C/S(=O)(=O)CCC(=O)NCc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpropanamide?
The InChIKey is ZHQBHTWSEGXCSX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H20BrNO3S/c1-15-2-4-16(5-3-15)10-12-25(23,24)13-11-19(22)21-14-17-6-8-18(20)9-7-17/h2-10,12H,11,13-14H2,1H3,(H,21,22)/b12-10+.
What are the key properties of N-[(4-bromophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpropanamide?
N-[(4-bromophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpropanamide has a molecular weight of 422.34 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-3-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpropanamide is sourced from PubChem (CID 162122790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).