2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclohexylideneamino)acetamide

C22H26ClN3O4S — CID 126122408

IUPAC2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclohexylideneamino)acetamide
SMILESCCOc1ccccc1N(CC(=O)NN=C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN3O4S/c1-2-30-21-11-7-6-10-20(21)26(31(28,29)19-14-12-17(23)13-15-19)16-22(27)25-24-18-8-4-3-5-9-18/h6-7,10-15H,2-5,8-9,16H2,1H3,(H,25,27)
InChIKeyTYIKBTUPIOCYIM-UHFFFAOYSA-N
MW463.99 g/mol
LogP4.37
Rot. Bonds8

About 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclohexylideneamino)acetamide

2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclohexylideneamino)acetamide (PubChem CID 126122408) has the molecular formula C22H26ClN3O4S and a molecular weight of 463.99 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclohexylideneamino)acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclohexylideneamino)acetamide
PubChem CID126122408
Molecular FormulaC22H26ClN3O4S
Molecular Weight463.99 g/mol
Exact Mass463.13
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclohexylideneamino)acetamide
SMILESCCOc1ccccc1N(CC(=O)NN=C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN3O4S/c1-2-30-21-11-7-6-10-20(21)26(31(28,29)19-14-12-17(23)13-15-19)16-22(27)25-24-18-8-4-3-5-9-18/h6-7,10-15H,2-5,8-9,16H2,1H3,(H,25,27)
InChIKeyTYIKBTUPIOCYIM-UHFFFAOYSA-N
XLogP4.37
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclooctylideneamino)acetamide
CID 126134968
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(cyclododecylideneamino)acetamide
CID 4252454
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide
CID 126034636
N-(cyclododecylideneamino)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28589335
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(cyclohexylideneamino)acetamide
CID 3838083
N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588840
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 126117459
N-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide
CID 126133689
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 126142995
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 126190753
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126175052
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502510

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclohexylideneamino)acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclohexylideneamino)acetamide (CID 126122408) is 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclohexylideneamino)acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclohexylideneamino)acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclohexylideneamino)acetamide is CCOc1ccccc1N(CC(=O)NN=C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclohexylideneamino)acetamide?
The InChIKey is TYIKBTUPIOCYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S/c1-2-30-21-11-7-6-10-20(21)26(31(28,29)19-14-12-17(23)13-15-19)16-22(27)25-24-18-8-4-3-5-9-18/h6-7,10-15H,2-5,8-9,16H2,1H3,(H,25,27).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclohexylideneamino)acetamide?
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclohexylideneamino)acetamide has a molecular weight of 463.99 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclohexylideneamino)acetamide is sourced from PubChem (CID 126122408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).