N-[(Z)-benzylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)acetamide

C23H22ClN3O3S — CID 126135336

IUPACN-[(Z)-benzylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)acetamide
SMILESCc1ccc(N(CC(=O)N/N=C\c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C23H22ClN3O3S/c1-17-8-11-21(14-18(17)2)27(31(29,30)22-12-9-20(24)10-13-22)16-23(28)26-25-15-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,26,28)/b25-15-
InChIKeyJTHHCLMIYLWVKJ-MYYYXRDXSA-N
MW455.97 g/mol
LogP4.30
Rot. Bonds7

About N-[(Z)-benzylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)acetamide

N-[(Z)-benzylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)acetamide (PubChem CID 126135336) has the molecular formula C23H22ClN3O3S and a molecular weight of 455.97 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)acetamide
PubChem CID126135336
Molecular FormulaC23H22ClN3O3S
Molecular Weight455.97 g/mol
Exact Mass455.11
IUPAC NameN-[(Z)-benzylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)acetamide
SMILESCc1ccc(N(CC(=O)N/N=C\c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C23H22ClN3O3S/c1-17-8-11-21(14-18(17)2)27(31(29,30)22-12-9-20(24)10-13-22)16-23(28)26-25-15-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,26,28)/b25-15-
InChIKeyJTHHCLMIYLWVKJ-MYYYXRDXSA-N
XLogP4.30
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 54.30
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

N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)acetamide
CID 126125543
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 126141325
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]acetamide
CID 126124802
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126145902
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 4605307
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]acetamide
CID 126119514
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]acetamide
CID 92648472
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 92644226
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 92644255
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 124535353
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide
CID 92644228
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-ethylacetamide
CID 126143705

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-benzylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)acetamide?
The IUPAC name of N-[(Z)-benzylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)acetamide (CID 126135336) is N-[(Z)-benzylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)acetamide.
What is the SMILES notation for N-[(Z)-benzylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)acetamide?
The canonical SMILES for N-[(Z)-benzylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)acetamide is Cc1ccc(N(CC(=O)N/N=C\c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C.
What is the InChIKey of N-[(Z)-benzylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)acetamide?
The InChIKey is JTHHCLMIYLWVKJ-MYYYXRDXSA-N. The full InChI is InChI=1S/C23H22ClN3O3S/c1-17-8-11-21(14-18(17)2)27(31(29,30)22-12-9-20(24)10-13-22)16-23(28)26-25-15-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,26,28)/b25-15-.
What are the key properties of N-[(Z)-benzylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)acetamide?
N-[(Z)-benzylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)acetamide has a molecular weight of 455.97 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)acetamide is sourced from PubChem (CID 126135336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).