4-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide

C24H23Cl2NO5S — CID 19218645

IUPAC4-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
SMILESCOc1ccc(N(C(=O)CCCOc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23Cl2NO5S/c1-17-5-12-21(13-6-17)33(29,30)27(19-8-10-20(31-2)11-9-19)24(28)4-3-15-32-23-14-7-18(25)16-22(23)26/h5-14,16H,3-4,15H2,1-2H3
InChIKeySFXSQOBHVLZAPQ-UHFFFAOYSA-N
MW508.42 g/mol
LogP5.89
Rot. Bonds9

About 4-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide

4-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide (PubChem CID 19218645) has the molecular formula C24H23Cl2NO5S and a molecular weight of 508.42 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
PubChem CID19218645
Molecular FormulaC24H23Cl2NO5S
Molecular Weight508.42 g/mol
Exact Mass507.07
IUPAC Name4-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
SMILESCOc1ccc(N(C(=O)CCCOc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H23Cl2NO5S/c1-17-5-12-21(13-6-17)33(29,30)27(19-8-10-20(31-2)11-9-19)24(28)4-3-15-32-23-14-7-18(25)16-22(23)26/h5-14,16H,3-4,15H2,1-2H3
InChIKeySFXSQOBHVLZAPQ-UHFFFAOYSA-N
XLogP5.89
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.42
LogP ≤ 55.89
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

4-(2,4-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218973
N-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 19218656
4-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218975
2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19220025
4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide
CID 19218828
N-(benzenesulfonyl)-4-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)butanamide
CID 19219241
4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19218749
2-(2-tert-butyl-4-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217723
N-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218720
N-(benzenesulfonyl)-2-(2,5-dichlorophenoxy)-N-(4-methoxyphenyl)acetamide
CID 19217653
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217451
N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-(4-ethylphenoxy)butanamide
CID 19218865

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide (CID 19218645) is 4-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide is COc1ccc(N(C(=O)CCCOc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide?
The InChIKey is SFXSQOBHVLZAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2NO5S/c1-17-5-12-21(13-6-17)33(29,30)27(19-8-10-20(31-2)11-9-19)24(28)4-3-15-32-23-14-7-18(25)16-22(23)26/h5-14,16H,3-4,15H2,1-2H3.
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide?
4-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide has a molecular weight of 508.42 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide is sourced from PubChem (CID 19218645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).