N-[(E)-1-(2-ethyl-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide

C18H22N2OS — CID 170607634

IUPACN-[(E)-1-(2-ethyl-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide
SMILESCCc1cccc(C)c1/C(C)=N/NS(=O)c1ccc(C)cc1
InChIInChI=1S/C18H22N2OS/c1-5-16-8-6-7-14(3)18(16)15(4)19-20-22(21)17-11-9-13(2)10-12-17/h6-12,20H,5H2,1-4H3/b19-15+
InChIKeyIBYICIPRDNXXKP-XDJHFCHBSA-N
MW314.45 g/mol
LogP3.90
Rot. Bonds5

About N-[(E)-1-(2-ethyl-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide

N-[(E)-1-(2-ethyl-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide (PubChem CID 170607634) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[(E)-1-(2-ethyl-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide.

Molecular Properties

Compound NameN-[(E)-1-(2-ethyl-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide
PubChem CID170607634
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-[(E)-1-(2-ethyl-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide
SMILESCCc1cccc(C)c1/C(C)=N/NS(=O)c1ccc(C)cc1
InChIInChI=1S/C18H22N2OS/c1-5-16-8-6-7-14(3)18(16)15(4)19-20-22(21)17-11-9-13(2)10-12-17/h6-12,20H,5H2,1-4H3/b19-15+
InChIKeyIBYICIPRDNXXKP-XDJHFCHBSA-N
XLogP3.90
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide;ethane;propane
CID 170607588
(1E)-2,6-dimethyl-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride;ethane;pentane
CID 176557337
1,3-dimethyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene
CID 170607608
(1Z)-2-chloro-6-cyano-N-(4-methylphenyl)sulfinylbenzenecarbohydrazonoyl chloride
CID 170607724
1-(2,6-diethylphenyl)ethanone
CID 14939611
1-chloro-3-methyl-2-[(E)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene
CID 170608084
bis(2,6-diethylphenol);1,4-xylene
CID 160641052
[(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-dimethyl-(4-methylphenyl)sulfinylazanium
CID 170608254
1-methyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]-3-propan-2-ylbenzene
CID 176557198
(NE,S)-4-methyl-N-(3-methylbutan-2-ylidene)benzenesulfinamide
CID 135085740
N-[(E)-1-(7H-benzo[h]phenoxazin-9-yl)ethylideneamino]-4-methylbenzenesulfinamide
CID 170632650
1-[2-(2,5-dimethylphenyl)ethyl]-3-ethyl-2-prop-1-en-2-ylbenzene
CID 144628046

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-ethyl-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide?
The IUPAC name of N-[(E)-1-(2-ethyl-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide (CID 170607634) is N-[(E)-1-(2-ethyl-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide.
What is the SMILES notation for N-[(E)-1-(2-ethyl-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide?
The canonical SMILES for N-[(E)-1-(2-ethyl-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide is CCc1cccc(C)c1/C(C)=N/NS(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(E)-1-(2-ethyl-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide?
The InChIKey is IBYICIPRDNXXKP-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-5-16-8-6-7-14(3)18(16)15(4)19-20-22(21)17-11-9-13(2)10-12-17/h6-12,20H,5H2,1-4H3/b19-15+.
What are the key properties of N-[(E)-1-(2-ethyl-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide?
N-[(E)-1-(2-ethyl-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide has a molecular weight of 314.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-ethyl-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide is sourced from PubChem (CID 170607634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).