2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide

C26H28ClN3O3S — CID 126031826

IUPAC2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide
SMILESC/C(CC(C)(C)c1ccccc1)=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H28ClN3O3S/c1-20(18-26(2,3)21-10-6-4-7-11-21)28-29-25(31)19-30(23-12-8-5-9-13-23)34(32,33)24-16-14-22(27)15-17-24/h4-17H,18-19H2,1-3H3,(H,29,31)/b28-20-
InChIKeySJQTWYRUIDTGOC-RRAHZORUSA-N
MW498.05 g/mol
LogP5.40
Rot. Bonds9

About 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide

2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide (PubChem CID 126031826) has the molecular formula C26H28ClN3O3S and a molecular weight of 498.05 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide
PubChem CID126031826
Molecular FormulaC26H28ClN3O3S
Molecular Weight498.05 g/mol
Exact Mass497.15
IUPAC Name2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide
SMILESC/C(CC(C)(C)c1ccccc1)=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H28ClN3O3S/c1-20(18-26(2,3)21-10-6-4-7-11-21)28-29-25(31)19-30(23-12-8-5-9-13-23)34(32,33)24-16-14-22(27)15-17-24/h4-17H,18-19H2,1-3H3,(H,29,31)/b28-20-
InChIKeySJQTWYRUIDTGOC-RRAHZORUSA-N
XLogP5.40
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.05
LogP ≤ 55.40
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-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide
CID 126122743
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide
CID 126191532
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 126030742
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
CID 126034155
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 126033834
N-(4-acetamidophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126153307
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 94837936
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 43899102
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide
CID 126034636
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(nonan-2-ylideneamino)acetamide
CID 3536506
2-(4-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-phenylacetamide
CID 1472193
N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]-3-phenylpropanamide
CID 126125541

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide (CID 126031826) is 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide is C/C(CC(C)(C)c1ccccc1)=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide?
The InChIKey is SJQTWYRUIDTGOC-RRAHZORUSA-N. The full InChI is InChI=1S/C26H28ClN3O3S/c1-20(18-26(2,3)21-10-6-4-7-11-21)28-29-25(31)19-30(23-12-8-5-9-13-23)34(32,33)24-16-14-22(27)15-17-24/h4-17H,18-19H2,1-3H3,(H,29,31)/b28-20-.
What are the key properties of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide?
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide has a molecular weight of 498.05 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide is sourced from PubChem (CID 126031826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).