4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide

C24H23Cl2NO5S — CID 19218828

IUPAC4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide
SMILESCCOc1ccc(N(C(=O)CCCOc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H23Cl2NO5S/c1-2-31-21-13-9-20(10-14-21)27(33(29,30)23-15-7-19(26)8-16-23)24(28)4-3-17-32-22-11-5-18(25)6-12-22/h5-16H,2-4,17H2,1H3
InChIKeyJZBDAJZFUWIOON-UHFFFAOYSA-N
MW508.42 g/mol
LogP5.97
Rot. Bonds10

About 4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide

4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide (PubChem CID 19218828) has the molecular formula C24H23Cl2NO5S and a molecular weight of 508.42 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide
PubChem CID19218828
Molecular FormulaC24H23Cl2NO5S
Molecular Weight508.42 g/mol
Exact Mass507.07
IUPAC Name4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide
SMILESCCOc1ccc(N(C(=O)CCCOc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H23Cl2NO5S/c1-2-31-21-13-9-20(10-14-21)27(33(29,30)23-15-7-19(26)8-16-23)24(28)4-3-17-32-22-11-5-18(25)6-12-22/h5-16H,2-4,17H2,1H3
InChIKeyJZBDAJZFUWIOON-UHFFFAOYSA-N
XLogP5.97
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.42
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-(4-ethylphenoxy)butanamide
CID 19218865
N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide
CID 19210329
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219172
N-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218720
4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19218749
4-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218975
N-(4-chlorophenyl)sulfonyl-2-(1,3-dioxoisoindol-2-yl)-N-(4-ethoxyphenyl)acetamide
CID 1180349
N-(4-chlorophenyl)sulfonyl-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 19218128
4-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218645
N-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-phenylbutanamide
CID 19218783
N-(4-ethoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19212681
N-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide
CID 19218615

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide (CID 19218828) is 4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide is CCOc1ccc(N(C(=O)CCCOc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide?
The InChIKey is JZBDAJZFUWIOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2NO5S/c1-2-31-21-13-9-20(10-14-21)27(33(29,30)23-15-7-19(26)8-16-23)24(28)4-3-17-32-22-11-5-18(25)6-12-22/h5-16H,2-4,17H2,1H3.
What are the key properties of 4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide?
4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide has a molecular weight of 508.42 g/mol, XLogP of 5.97, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide is sourced from PubChem (CID 19218828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).