N-benzyl-N-[(E)-1-(3-cyanophenyl)-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide

C36H30N2O2S — CID 154720582

IUPACN-benzyl-N-[(E)-1-(3-cyanophenyl)-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(/C(=C(\c2cccc(C#N)c2)N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C36H30N2O2S/c1-27-16-20-32(21-17-27)35(31-13-7-4-8-14-31)36(33-15-9-12-30(24-33)25-37)38(26-29-10-5-3-6-11-29)41(39,40)34-22-18-28(2)19-23-34/h3-24H,26H2,1-2H3/b36-35+
InChIKeyYEDNSZYVCRLRBY-ULDVOPSXSA-N
MW554.72 g/mol
LogP7.98
Rot. Bonds8

About N-benzyl-N-[(E)-1-(3-cyanophenyl)-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide

N-benzyl-N-[(E)-1-(3-cyanophenyl)-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide (PubChem CID 154720582) has the molecular formula C36H30N2O2S and a molecular weight of 554.72 g/mol. Its IUPAC name is N-benzyl-N-[(E)-1-(3-cyanophenyl)-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[(E)-1-(3-cyanophenyl)-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide
PubChem CID154720582
Molecular FormulaC36H30N2O2S
Molecular Weight554.72 g/mol
Exact Mass554.20
IUPAC NameN-benzyl-N-[(E)-1-(3-cyanophenyl)-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(/C(=C(\c2cccc(C#N)c2)N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C36H30N2O2S/c1-27-16-20-32(21-17-27)35(31-13-7-4-8-14-31)36(33-15-9-12-30(24-33)25-37)38(26-29-10-5-3-6-11-29)41(39,40)34-22-18-28(2)19-23-34/h3-24H,26H2,1-2H3/b36-35+
InChIKeyYEDNSZYVCRLRBY-ULDVOPSXSA-N
XLogP7.98
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.72
LogP ≤ 57.98
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-(4-methoxyphenyl)-2-naphthalen-1-yl-2-phenylethenyl]-4-methylbenzenesulfonamide
CID 154720580
N-[(3-cyanophenyl)methyl]-N-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 32590677
N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950
N-benzyl-N-[1-(4-fluorophenyl)-3-methylbuta-1,2-dienyl]-4-methylbenzenesulfonamide
CID 71530826
N-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978885
3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile
CID 139203949
N',N'-dibenzyl-3-cyanobenzohydrazide
CID 9293877
N-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 25497895
N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 43995446
N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 3252921
(E)-3-(3-cyanophenyl)-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enamide
CID 46703416
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(E)-1-(3-cyanophenyl)-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-[(E)-1-(3-cyanophenyl)-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide (CID 154720582) is N-benzyl-N-[(E)-1-(3-cyanophenyl)-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[(E)-1-(3-cyanophenyl)-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-[(E)-1-(3-cyanophenyl)-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide is Cc1ccc(/C(=C(\c2cccc(C#N)c2)N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[(E)-1-(3-cyanophenyl)-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide?
The InChIKey is YEDNSZYVCRLRBY-ULDVOPSXSA-N. The full InChI is InChI=1S/C36H30N2O2S/c1-27-16-20-32(21-17-27)35(31-13-7-4-8-14-31)36(33-15-9-12-30(24-33)25-37)38(26-29-10-5-3-6-11-29)41(39,40)34-22-18-28(2)19-23-34/h3-24H,26H2,1-2H3/b36-35+.
What are the key properties of N-benzyl-N-[(E)-1-(3-cyanophenyl)-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide?
N-benzyl-N-[(E)-1-(3-cyanophenyl)-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide has a molecular weight of 554.72 g/mol, XLogP of 7.98, 8 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-(3-cyanophenyl)-2-(4-methylphenyl)-2-phenylethenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 154720582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).