2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(2-ethoxyphenyl)methylideneamino]acetamide

C24H23ClFN3O4S — CID 4626601

IUPAC2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(2-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccccc1C=NNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClFN3O4S/c1-2-33-23-6-4-3-5-19(23)15-27-28-24(30)17-29(16-18-7-11-21(26)12-8-18)34(31,32)22-13-9-20(25)10-14-22/h3-15H,2,16-17H2,1H3,(H,28,30)
InChIKeyCKHYAGMFDLBIDG-UHFFFAOYSA-N
MW503.98 g/mol
LogP4.22
Rot. Bonds10

About 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(2-ethoxyphenyl)methylideneamino]acetamide

2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(2-ethoxyphenyl)methylideneamino]acetamide (PubChem CID 4626601) has the molecular formula C24H23ClFN3O4S and a molecular weight of 503.98 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(2-ethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(2-ethoxyphenyl)methylideneamino]acetamide
PubChem CID4626601
Molecular FormulaC24H23ClFN3O4S
Molecular Weight503.98 g/mol
Exact Mass503.11
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(2-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccccc1C=NNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClFN3O4S/c1-2-33-23-6-4-3-5-19(23)15-27-28-24(30)17-29(16-18-7-11-21(26)12-8-18)34(31,32)22-13-9-20(25)10-14-22/h3-15H,2,16-17H2,1H3,(H,28,30)
InChIKeyCKHYAGMFDLBIDG-UHFFFAOYSA-N
XLogP4.22
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.98
LogP ≤ 54.22
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-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 137065260
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 25251468
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 3750829
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 137065178
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126060509
2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 126059261
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 126062087
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 126067134
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126067077
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126078159
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 6185062
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135671839

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(2-ethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(2-ethoxyphenyl)methylideneamino]acetamide (CID 4626601) is 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(2-ethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(2-ethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(2-ethoxyphenyl)methylideneamino]acetamide is CCOc1ccccc1C=NNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(2-ethoxyphenyl)methylideneamino]acetamide?
The InChIKey is CKHYAGMFDLBIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O4S/c1-2-33-23-6-4-3-5-19(23)15-27-28-24(30)17-29(16-18-7-11-21(26)12-8-18)34(31,32)22-13-9-20(25)10-14-22/h3-15H,2,16-17H2,1H3,(H,28,30).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(2-ethoxyphenyl)methylideneamino]acetamide?
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(2-ethoxyphenyl)methylideneamino]acetamide has a molecular weight of 503.98 g/mol, XLogP of 4.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(2-ethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 4626601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).