N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide

C25H25N3O2S2 — CID 5229362

IUPACN,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccccc3)n2CCc2ccccc2)cc1
InChIInChI=1S/C25H25N3O2S2/c1-27(2)32(29,30)23-15-13-21(14-16-23)24-19-31-25(26-22-11-7-4-8-12-22)28(24)18-17-20-9-5-3-6-10-20/h3-16,19H,17-18H2,1-2H3/b26-25-
InChIKeyQLENVDCTBIBXJP-QPLCGJKRSA-N
MW463.63 g/mol
LogP4.94
Rot. Bonds7

About N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide

N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide (PubChem CID 5229362) has the molecular formula C25H25N3O2S2 and a molecular weight of 463.63 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
PubChem CID5229362
Molecular FormulaC25H25N3O2S2
Molecular Weight463.63 g/mol
Exact Mass463.14
IUPAC NameN,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccccc3)n2CCc2ccccc2)cc1
InChIInChI=1S/C25H25N3O2S2/c1-27(2)32(29,30)23-15-13-21(14-16-23)24-19-31-25(26-22-11-7-4-8-12-22)28(24)18-17-20-9-5-3-6-10-20/h3-16,19H,17-18H2,1-2H3/b26-25-
InChIKeyQLENVDCTBIBXJP-QPLCGJKRSA-N
XLogP4.94
TPSA54.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 3980869
N,N-diethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide;hydrobromide
CID 90484804
4-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylimino-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 5229584
N,N-diethyl-4-(2-phenylimino-3-propyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 5245125
N,N-dimethyl-4-[2-(4-methylphenyl)imino-3-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 18813258
N,N-dimethyl-4-[3-[[(2S)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 27350353
N,N-dimethyl-4-[3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 5245119
N-(4-methylphenyl)-4-(4-nitrophenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392914
N,N-dimethyl-3-(3-pentyl-2-phenylimino-1,3-thiazol-4-yl)benzenesulfonamide
CID 2027730
N-(4-fluorophenyl)-3-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 4228657
N-(3-methylphenyl)-4-(4-nitrophenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392938
4-[2-(4-methoxyphenyl)imino-3-pentyl-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 18812706

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide (CID 5229362) is N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccccc3)n2CCc2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide?
The InChIKey is QLENVDCTBIBXJP-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H25N3O2S2/c1-27(2)32(29,30)23-15-13-21(14-16-23)24-19-31-25(26-22-11-7-4-8-12-22)28(24)18-17-20-9-5-3-6-10-20/h3-16,19H,17-18H2,1-2H3/b26-25-.
What are the key properties of N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide?
N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide has a molecular weight of 463.63 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(2-phenylethyl)-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 5229362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).