2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide

C22H28ClN3O3S — CID 28588896

IUPAC2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide
SMILESC/C(=N/NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C
InChIInChI=1S/C22H28ClN3O3S/c1-15-7-10-19(11-8-15)30(28,29)26(20-12-9-18(23)13-16(20)2)14-21(27)25-24-17(3)22(4,5)6/h7-13H,14H2,1-6H3,(H,25,27)/b24-17-
InChIKeyVXZMPYXNYUMUJV-ULJHMMPZSA-N
MW450.00 g/mol
LogP4.69
Rot. Bonds6

About 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide

2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide (PubChem CID 28588896) has the molecular formula C22H28ClN3O3S and a molecular weight of 450.00 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide
PubChem CID28588896
Molecular FormulaC22H28ClN3O3S
Molecular Weight450.00 g/mol
Exact Mass449.15
IUPAC Name2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide
SMILESC/C(=N/NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C
InChIInChI=1S/C22H28ClN3O3S/c1-15-7-10-19(11-8-15)30(28,29)26(20-12-9-18(23)13-16(20)2)14-21(27)25-24-17(3)22(4,5)6/h7-13H,14H2,1-6H3,(H,25,27)/b24-17-
InChIKeyVXZMPYXNYUMUJV-ULJHMMPZSA-N
XLogP4.69
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.00
LogP ≤ 54.69
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'}

Analyze 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
CID 28588884
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopentylacetamide
CID 1208475
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 30172343
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 2279264
N-(4-bromophenyl)-2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172400
N-(5-chloro-2-methylphenyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1337126
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880441
2-[(E)-[[2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 43879462
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 30172363
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126033241
N-(4-chloro-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1337881
N-[4-[(Z)-N-[[2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 126191451

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide?
The IUPAC name of 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide (CID 28588896) is 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide is C/C(=N/NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C.
What is the InChIKey of 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide?
The InChIKey is VXZMPYXNYUMUJV-ULJHMMPZSA-N. The full InChI is InChI=1S/C22H28ClN3O3S/c1-15-7-10-19(11-8-15)30(28,29)26(20-12-9-18(23)13-16(20)2)14-21(27)25-24-17(3)22(4,5)6/h7-13H,14H2,1-6H3,(H,25,27)/b24-17-.
What are the key properties of 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide?
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide has a molecular weight of 450.00 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide is sourced from PubChem (CID 28588896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).