N-[(E)-1,5-diphenylpent-4-enyl]-N,4-dimethylbenzenesulfonamide

C25H27NO2S — CID 177370389

IUPACN-[(E)-1,5-diphenylpent-4-enyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C(CC/C=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H27NO2S/c1-21-17-19-24(20-18-21)29(27,28)26(2)25(23-14-7-4-8-15-23)16-10-9-13-22-11-5-3-6-12-22/h3-9,11-15,17-20,25H,10,16H2,1-2H3/b13-9+
InChIKeyRHQILAXENXYUHX-UKTHLTGXSA-N
MW405.56 g/mol
LogP5.85
Rot. Bonds8

About N-[(E)-1,5-diphenylpent-4-enyl]-N,4-dimethylbenzenesulfonamide

N-[(E)-1,5-diphenylpent-4-enyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 177370389) has the molecular formula C25H27NO2S and a molecular weight of 405.56 g/mol. Its IUPAC name is N-[(E)-1,5-diphenylpent-4-enyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1,5-diphenylpent-4-enyl]-N,4-dimethylbenzenesulfonamide
PubChem CID177370389
Molecular FormulaC25H27NO2S
Molecular Weight405.56 g/mol
Exact Mass405.18
IUPAC NameN-[(E)-1,5-diphenylpent-4-enyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C(CC/C=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H27NO2S/c1-21-17-19-24(20-18-21)29(27,28)26(2)25(23-14-7-4-8-15-23)16-10-9-13-22-11-5-3-6-12-22/h3-9,11-15,17-20,25H,10,16H2,1-2H3/b13-9+
InChIKeyRHQILAXENXYUHX-UKTHLTGXSA-N
XLogP5.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.56
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide
CID 69444505
N,4-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
CID 46210780
N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 11696524
N,4-dimethyl-N-(2-methyl-1-phenyloctyl)benzenesulfonamide
CID 102421341
[(E)-5-phenylpent-4-enyl] 4-methylbenzenesulfonate
CID 19837254
N-[(E)-4-hydroxybut-2-enyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 102266545
4-methylbenzenesulfonate;[(E)-3-phenylprop-2-enyl]azanium
CID 10542631
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide
CID 101398637
4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 46188827
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
(4-methylphenyl)-oxo-(3-phenylprop-2-enoxy)-sulfanylidene-λ6-sulfane
CID 54209699

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,5-diphenylpent-4-enyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(E)-1,5-diphenylpent-4-enyl]-N,4-dimethylbenzenesulfonamide (CID 177370389) is N-[(E)-1,5-diphenylpent-4-enyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-1,5-diphenylpent-4-enyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(E)-1,5-diphenylpent-4-enyl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C(CC/C=C/c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-1,5-diphenylpent-4-enyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is RHQILAXENXYUHX-UKTHLTGXSA-N. The full InChI is InChI=1S/C25H27NO2S/c1-21-17-19-24(20-18-21)29(27,28)26(2)25(23-14-7-4-8-15-23)16-10-9-13-22-11-5-3-6-12-22/h3-9,11-15,17-20,25H,10,16H2,1-2H3/b13-9+.
What are the key properties of N-[(E)-1,5-diphenylpent-4-enyl]-N,4-dimethylbenzenesulfonamide?
N-[(E)-1,5-diphenylpent-4-enyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 405.56 g/mol, XLogP of 5.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,5-diphenylpent-4-enyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 177370389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).