N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methyl-N-methylsulfonylanilino)acetamide

C16H25N3O3S — CID 6053899

IUPACN-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESC/C(=N/NC(=O)CN(c1ccccc1C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C16H25N3O3S/c1-12-9-7-8-10-14(12)19(23(6,21)22)11-15(20)18-17-13(2)16(3,4)5/h7-10H,11H2,1-6H3,(H,18,20)/b17-13-
InChIKeyLTCUHFAVFDLNCJ-LGMDPLHJSA-N
MW339.46 g/mol
LogP2.30
Rot. Bonds5

About N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methyl-N-methylsulfonylanilino)acetamide

N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 6053899) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methyl-N-methylsulfonylanilino)acetamide
PubChem CID6053899
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESC/C(=N/NC(=O)CN(c1ccccc1C)S(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C16H25N3O3S/c1-12-9-7-8-10-14(12)19(23(6,21)22)11-15(20)18-17-13(2)16(3,4)5/h7-10H,11H2,1-6H3,(H,18,20)/b17-13-
InChIKeyLTCUHFAVFDLNCJ-LGMDPLHJSA-N
XLogP2.30
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.30
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-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide
CID 28588896
N-tert-butyl-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141646
2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 1372880
2-(2-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1317403
2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 36612731
N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 113153702
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide
CID 6303075
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30969500
N-(3,5-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 8572707
N-[2-(N-methylanilino)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55726000
N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30217607
2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 8574795

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methyl-N-methylsulfonylanilino)acetamide (CID 6053899) is N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methyl-N-methylsulfonylanilino)acetamide is C/C(=N/NC(=O)CN(c1ccccc1C)S(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is LTCUHFAVFDLNCJ-LGMDPLHJSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12-9-7-8-10-14(12)19(23(6,21)22)11-15(20)18-17-13(2)16(3,4)5/h7-10H,11H2,1-6H3,(H,18,20)/b17-13-.
What are the key properties of N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 339.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 6053899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).