N-[(2S)-1-benzylimino-4-methylpentan-2-yl]-4-methyl-N-(4-methylpent-3-enyl)benzenesulfonamide

C26H36N2O2S — CID 10813020

IUPACN-[(2S)-1-benzylimino-4-methylpentan-2-yl]-4-methyl-N-(4-methylpent-3-enyl)benzenesulfonamide
SMILESCC(C)=CCCN([C@H](/C=N/Cc1ccccc1)CC(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H36N2O2S/c1-21(2)10-9-17-28(31(29,30)26-15-13-23(5)14-16-26)25(18-22(3)4)20-27-19-24-11-7-6-8-12-24/h6-8,10-16,20,22,25H,9,17-19H2,1-5H3/b27-20+/t25-/m0/s1
InChIKeyFLGKLEPNRKRIET-GICXXDNVSA-N
MW440.65 g/mol
LogP6.03
Rot. Bonds11

About N-[(2S)-1-benzylimino-4-methylpentan-2-yl]-4-methyl-N-(4-methylpent-3-enyl)benzenesulfonamide

N-[(2S)-1-benzylimino-4-methylpentan-2-yl]-4-methyl-N-(4-methylpent-3-enyl)benzenesulfonamide (PubChem CID 10813020) has the molecular formula C26H36N2O2S and a molecular weight of 440.65 g/mol. Its IUPAC name is N-[(2S)-1-benzylimino-4-methylpentan-2-yl]-4-methyl-N-(4-methylpent-3-enyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-benzylimino-4-methylpentan-2-yl]-4-methyl-N-(4-methylpent-3-enyl)benzenesulfonamide
PubChem CID10813020
Molecular FormulaC26H36N2O2S
Molecular Weight440.65 g/mol
Exact Mass440.25
IUPAC NameN-[(2S)-1-benzylimino-4-methylpentan-2-yl]-4-methyl-N-(4-methylpent-3-enyl)benzenesulfonamide
SMILESCC(C)=CCCN([C@H](/C=N/Cc1ccccc1)CC(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H36N2O2S/c1-21(2)10-9-17-28(31(29,30)26-15-13-23(5)14-16-26)25(18-22(3)4)20-27-19-24-11-7-6-8-12-24/h6-8,10-16,20,22,25H,9,17-19H2,1-5H3/b27-20+/t25-/m0/s1
InChIKeyFLGKLEPNRKRIET-GICXXDNVSA-N
XLogP6.03
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.65
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-N-(4-methylpent-3-enyl)benzenesulfonamide
CID 10667955
N-benzyl-4-methyl-N-(3-methyl-1-phenylbut-3-en-2-yl)benzenesulfonamide
CID 14811520
N-benzyl-4-methyl-N-pent-1-en-3-ylbenzenesulfonamide
CID 23726775
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
(2S)-2-[benzyl-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 11825728
N-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide
CID 72966793
tert-butyl (2S)-2-[benzyl-(4-methylphenyl)sulfonylamino]-3-methylbutanoate
CID 100984415
N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 54916389
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 102151911
2-[(4-methylphenyl)sulfonyl-(2-methylprop-1-enyl)amino]-3-phenylpropanoate
CID 57373221
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-benzylimino-4-methylpentan-2-yl]-4-methyl-N-(4-methylpent-3-enyl)benzenesulfonamide?
The IUPAC name of N-[(2S)-1-benzylimino-4-methylpentan-2-yl]-4-methyl-N-(4-methylpent-3-enyl)benzenesulfonamide (CID 10813020) is N-[(2S)-1-benzylimino-4-methylpentan-2-yl]-4-methyl-N-(4-methylpent-3-enyl)benzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-benzylimino-4-methylpentan-2-yl]-4-methyl-N-(4-methylpent-3-enyl)benzenesulfonamide?
The canonical SMILES for N-[(2S)-1-benzylimino-4-methylpentan-2-yl]-4-methyl-N-(4-methylpent-3-enyl)benzenesulfonamide is CC(C)=CCCN([C@H](/C=N/Cc1ccccc1)CC(C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2S)-1-benzylimino-4-methylpentan-2-yl]-4-methyl-N-(4-methylpent-3-enyl)benzenesulfonamide?
The InChIKey is FLGKLEPNRKRIET-GICXXDNVSA-N. The full InChI is InChI=1S/C26H36N2O2S/c1-21(2)10-9-17-28(31(29,30)26-15-13-23(5)14-16-26)25(18-22(3)4)20-27-19-24-11-7-6-8-12-24/h6-8,10-16,20,22,25H,9,17-19H2,1-5H3/b27-20+/t25-/m0/s1.
What are the key properties of N-[(2S)-1-benzylimino-4-methylpentan-2-yl]-4-methyl-N-(4-methylpent-3-enyl)benzenesulfonamide?
N-[(2S)-1-benzylimino-4-methylpentan-2-yl]-4-methyl-N-(4-methylpent-3-enyl)benzenesulfonamide has a molecular weight of 440.65 g/mol, XLogP of 6.03, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-benzylimino-4-methylpentan-2-yl]-4-methyl-N-(4-methylpent-3-enyl)benzenesulfonamide is sourced from PubChem (CID 10813020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).