N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide

C22H29N3O3S — CID 28589050

IUPACN-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESC/C(=N/NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H29N3O3S/c1-16-8-7-9-20(14-16)25(29(6,27)28)15-21(26)24-23-17(2)18-10-12-19(13-11-18)22(3,4)5/h7-14H,15H2,1-6H3,(H,24,26)/b23-17-
InChIKeyGAVIKSHOYCZCOV-QJOMJCCJSA-N
MW415.56 g/mol
LogP3.60
Rot. Bonds6

About N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide

N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 28589050) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
PubChem CID28589050
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESC/C(=N/NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H29N3O3S/c1-16-8-7-9-20(14-16)25(29(6,27)28)15-21(26)24-23-17(2)18-10-12-19(13-11-18)22(3,4)5/h7-14H,15H2,1-6H3,(H,24,26)/b23-17-
InChIKeyGAVIKSHOYCZCOV-QJOMJCCJSA-N
XLogP3.60
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(3-methyl-N-methylsulfonylanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 43879603
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28589076
N-[(E)-1-(3-iodophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 43879610
2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 126033899
2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-ylideneamino)acetamide
CID 3693486
2-(4-iodo-N-methylsulfonylanilino)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]acetamide
CID 126030461
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 6938758
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126032247
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 126133464
N-[(Z)-furan-2-ylmethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28589064
N-[(4-tert-butylphenyl)methylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 2467181
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28589040

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide (CID 28589050) is N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide is C/C(=N/NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is GAVIKSHOYCZCOV-QJOMJCCJSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-16-8-7-9-20(14-16)25(29(6,27)28)15-21(26)24-23-17(2)18-10-12-19(13-11-18)22(3,4)5/h7-14H,15H2,1-6H3,(H,24,26)/b23-17-.
What are the key properties of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide?
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 415.56 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 28589050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).