N-benzyl-N-[(E)-1-(4-methoxyphenyl)-2-naphthalen-1-yl-2-phenylethenyl]-4-methylbenzenesulfonamide

C39H33NO3S — CID 154720580

IUPACN-benzyl-N-[(E)-1-(4-methoxyphenyl)-2-naphthalen-1-yl-2-phenylethenyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(/C(=C(/c2ccccc2)c2cccc3ccccc23)N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C39H33NO3S/c1-29-20-26-35(27-21-29)44(41,42)40(28-30-12-5-3-6-13-30)39(33-22-24-34(43-2)25-23-33)38(32-15-7-4-8-16-32)37-19-11-17-31-14-9-10-18-36(31)37/h3-27H,28H2,1-2H3/b39-38+
InChIKeyOSUQFFFZDQVBCY-YMZYAJTMSA-N
MW595.76 g/mol
LogP8.96
Rot. Bonds9

About N-benzyl-N-[(E)-1-(4-methoxyphenyl)-2-naphthalen-1-yl-2-phenylethenyl]-4-methylbenzenesulfonamide

N-benzyl-N-[(E)-1-(4-methoxyphenyl)-2-naphthalen-1-yl-2-phenylethenyl]-4-methylbenzenesulfonamide (PubChem CID 154720580) has the molecular formula C39H33NO3S and a molecular weight of 595.76 g/mol. Its IUPAC name is N-benzyl-N-[(E)-1-(4-methoxyphenyl)-2-naphthalen-1-yl-2-phenylethenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[(E)-1-(4-methoxyphenyl)-2-naphthalen-1-yl-2-phenylethenyl]-4-methylbenzenesulfonamide
PubChem CID154720580
Molecular FormulaC39H33NO3S
Molecular Weight595.76 g/mol
Exact Mass595.22
IUPAC NameN-benzyl-N-[(E)-1-(4-methoxyphenyl)-2-naphthalen-1-yl-2-phenylethenyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(/C(=C(/c2ccccc2)c2cccc3ccccc23)N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C39H33NO3S/c1-29-20-26-35(27-21-29)44(41,42)40(28-30-12-5-3-6-13-30)39(33-22-24-34(43-2)25-23-33)38(32-15-7-4-8-16-32)37-19-11-17-31-14-9-10-18-36(31)37/h3-27H,28H2,1-2H3/b39-38+
InChIKeyOSUQFFFZDQVBCY-YMZYAJTMSA-N
XLogP8.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.76
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[(E)-1-(3-cyanophenyl)-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide
CID 154720582
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
methyl (E)-3-[benzyl-(4-methylphenyl)sulfonylamino]but-2-enoate
CID 177422417
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100791083
N-benzyl-N-[(2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide
CID 102047940
N-benzyl-N-[(2-ethanethioylphenyl)methyl]-4-methoxybenzenesulfonamide
CID 22711767
[(Z)-1-[benzyl-(4-methylphenyl)sulfonylamino]-2-phenylethenyl] 3,5-dimethoxybenzoate
CID 177385033
2-[benzyl-(4-methoxyphenyl)sulfonylamino]benzoate
CID 6968685
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-(2-hydroxyethoxy)benzoic acid
CID 21310893
N-[3-(dibenzylamino)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 2884976

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(E)-1-(4-methoxyphenyl)-2-naphthalen-1-yl-2-phenylethenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-[(E)-1-(4-methoxyphenyl)-2-naphthalen-1-yl-2-phenylethenyl]-4-methylbenzenesulfonamide (CID 154720580) is N-benzyl-N-[(E)-1-(4-methoxyphenyl)-2-naphthalen-1-yl-2-phenylethenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[(E)-1-(4-methoxyphenyl)-2-naphthalen-1-yl-2-phenylethenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-[(E)-1-(4-methoxyphenyl)-2-naphthalen-1-yl-2-phenylethenyl]-4-methylbenzenesulfonamide is COc1ccc(/C(=C(/c2ccccc2)c2cccc3ccccc23)N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-benzyl-N-[(E)-1-(4-methoxyphenyl)-2-naphthalen-1-yl-2-phenylethenyl]-4-methylbenzenesulfonamide?
The InChIKey is OSUQFFFZDQVBCY-YMZYAJTMSA-N. The full InChI is InChI=1S/C39H33NO3S/c1-29-20-26-35(27-21-29)44(41,42)40(28-30-12-5-3-6-13-30)39(33-22-24-34(43-2)25-23-33)38(32-15-7-4-8-16-32)37-19-11-17-31-14-9-10-18-36(31)37/h3-27H,28H2,1-2H3/b39-38+.
What are the key properties of N-benzyl-N-[(E)-1-(4-methoxyphenyl)-2-naphthalen-1-yl-2-phenylethenyl]-4-methylbenzenesulfonamide?
N-benzyl-N-[(E)-1-(4-methoxyphenyl)-2-naphthalen-1-yl-2-phenylethenyl]-4-methylbenzenesulfonamide has a molecular weight of 595.76 g/mol, XLogP of 8.96, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(E)-1-(4-methoxyphenyl)-2-naphthalen-1-yl-2-phenylethenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 154720580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).