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

C24H30ClN3O4S — CID 126134968

IUPAC2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclooctylideneamino)acetamide
SMILESCCOc1ccccc1N(CC(=O)NN=C1CCCCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H30ClN3O4S/c1-2-32-23-13-9-8-12-22(23)28(33(30,31)21-16-14-19(25)15-17-21)18-24(29)27-26-20-10-6-4-3-5-7-11-20/h8-9,12-17H,2-7,10-11,18H2,1H3,(H,27,29)
InChIKeySYHFJTBLRNYFPU-UHFFFAOYSA-N
MW492.04 g/mol
LogP5.15
Rot. Bonds8

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

2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclooctylideneamino)acetamide (PubChem CID 126134968) has the molecular formula C24H30ClN3O4S and a molecular weight of 492.04 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclooctylideneamino)acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclooctylideneamino)acetamide
PubChem CID126134968
Molecular FormulaC24H30ClN3O4S
Molecular Weight492.04 g/mol
Exact Mass491.16
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclooctylideneamino)acetamide
SMILESCCOc1ccccc1N(CC(=O)NN=C1CCCCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H30ClN3O4S/c1-2-32-23-13-9-8-12-22(23)28(33(30,31)21-16-14-19(25)15-17-21)18-24(29)27-26-20-10-6-4-3-5-7-11-20/h8-9,12-17H,2-7,10-11,18H2,1H3,(H,27,29)
InChIKeySYHFJTBLRNYFPU-UHFFFAOYSA-N
XLogP5.15
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.04
LogP ≤ 55.15
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-(cyclohexylideneamino)acetamide
CID 126122408
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-(cyclooctylideneamino)acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclooctylideneamino)acetamide (CID 126134968) is 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclooctylideneamino)acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclooctylideneamino)acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclooctylideneamino)acetamide is CCOc1ccccc1N(CC(=O)NN=C1CCCCCCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclooctylideneamino)acetamide?
The InChIKey is SYHFJTBLRNYFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O4S/c1-2-32-23-13-9-8-12-22(23)28(33(30,31)21-16-14-19(25)15-17-21)18-24(29)27-26-20-10-6-4-3-5-7-11-20/h8-9,12-17H,2-7,10-11,18H2,1H3,(H,27,29).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclooctylideneamino)acetamide?
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(cyclooctylideneamino)acetamide has a molecular weight of 492.04 g/mol, XLogP of 5.15, 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-(cyclooctylideneamino)acetamide is sourced from PubChem (CID 126134968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).