N-[(1S,2R)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide;N-[(1R,2S)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide

C68H60N4O4S2 — CID 139042258

IUPACN-[(1S,2R)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide;N-[(1R,2S)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@H](N=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@@H](N=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C34H30N2O2S/c2*1-26-22-24-31(25-23-26)39(37,38)36-34(30-20-12-5-13-21-30)33(29-18-10-4-11-19-29)35-32(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h2*2-25,33-34,36H,1H3/t2*33-,34+/m10/s1
InChIKeyUQTDTMJYAUQWEV-QIJVOLAMSA-N
MW1061.39 g/mol
LogP14.59
Rot. Bonds18

About N-[(1S,2R)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide;N-[(1R,2S)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide

N-[(1S,2R)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide;N-[(1R,2S)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide (PubChem CID 139042258) has the molecular formula C68H60N4O4S2 and a molecular weight of 1061.39 g/mol. Its IUPAC name is N-[(1S,2R)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide;N-[(1R,2S)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide;N-[(1R,2S)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide
PubChem CID139042258
Molecular FormulaC68H60N4O4S2
Molecular Weight1061.39 g/mol
Exact Mass1060.41
IUPAC NameN-[(1S,2R)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide;N-[(1R,2S)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@H](N=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@@H](N=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C34H30N2O2S/c2*1-26-22-24-31(25-23-26)39(37,38)36-34(30-20-12-5-13-21-30)33(29-18-10-4-11-19-29)35-32(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h2*2-25,33-34,36H,1H3/t2*33-,34+/m10/s1
InChIKeyUQTDTMJYAUQWEV-QIJVOLAMSA-N
XLogP14.59
TPSA117.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.39
LogP ≤ 514.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(benzhydrylideneamino)-1,2-bis(3-methylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 155931491
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 101415402
N-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]-4-methylbenzenesulfonamide
CID 102280789
(2R,3S)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 10991221
methyl (2S,3R)-2-(benzhydrylideneamino)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 102590262
methyl (2S,3S)-2-(benzhydrylideneamino)-3-(4-cyanophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 135064690
N-[(1R,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 45357622
N-(2-amino-1,2-diphenylethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 75110683
N-[(2R,3S)-3-(benzhydrylideneamino)-3-(4-bromophenyl)-2-phenylpropyl]-4-methylbenzenesulfonamide
CID 177441474
N-[(1S)-2,2-dimethoxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 101203373
methyl (2S,3S)-2-(benzhydrylideneamino)-3-[(4-methylphenyl)sulfonylamino]-3-(3-nitrophenyl)propanoate
CID 66554006
N-[(1S,2S)-1-(4-fluorophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide
CID 135064335

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide;N-[(1R,2S)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1S,2R)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide;N-[(1R,2S)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide (CID 139042258) is N-[(1S,2R)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide;N-[(1R,2S)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S,2R)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide;N-[(1R,2S)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S,2R)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide;N-[(1R,2S)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@H](N=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@@H](N=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(1S,2R)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide;N-[(1R,2S)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide?
The InChIKey is UQTDTMJYAUQWEV-QIJVOLAMSA-N. The full InChI is InChI=1S/2C34H30N2O2S/c2*1-26-22-24-31(25-23-26)39(37,38)36-34(30-20-12-5-13-21-30)33(29-18-10-4-11-19-29)35-32(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h2*2-25,33-34,36H,1H3/t2*33-,34+/m10/s1.
What are the key properties of N-[(1S,2R)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide;N-[(1R,2S)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide?
N-[(1S,2R)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide;N-[(1R,2S)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide has a molecular weight of 1061.39 g/mol, XLogP of 14.59, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide;N-[(1R,2S)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 139042258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).