2-(2-tert-butylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide

C25H26ClNO5S — CID 19217758

IUPAC2-(2-tert-butylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(=O)COc2ccccc2C(C)(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H26ClNO5S/c1-25(2,3)22-7-5-6-8-23(22)32-17-24(28)27(19-11-13-20(31-4)14-12-19)33(29,30)21-15-9-18(26)10-16-21/h5-16H,17H2,1-4H3
InChIKeyLCCKBVVRJFWKBM-UHFFFAOYSA-N
MW488.01 g/mol
LogP5.45
Rot. Bonds7

About 2-(2-tert-butylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide

2-(2-tert-butylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide (PubChem CID 19217758) has the molecular formula C25H26ClNO5S and a molecular weight of 488.01 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
PubChem CID19217758
Molecular FormulaC25H26ClNO5S
Molecular Weight488.01 g/mol
Exact Mass487.12
IUPAC Name2-(2-tert-butylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(=O)COc2ccccc2C(C)(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H26ClNO5S/c1-25(2,3)22-7-5-6-8-23(22)32-17-24(28)27(19-11-13-20(31-4)14-12-19)33(29,30)21-15-9-18(26)10-16-21/h5-16H,17H2,1-4H3
InChIKeyLCCKBVVRJFWKBM-UHFFFAOYSA-N
XLogP5.45
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.01
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-tert-butyl-4-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217723
2-(2-tert-butylphenoxy)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide
CID 19217762
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219172
2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19220025
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-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19218157
2-(4-bromo-3-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217990
2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19219952
2-(2-methoxyphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 1283700
N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide
CID 19217315
N-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide
CID 19211456

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide (CID 19217758) is 2-(2-tert-butylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide is COc1ccc(N(C(=O)COc2ccccc2C(C)(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is LCCKBVVRJFWKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClNO5S/c1-25(2,3)22-7-5-6-8-23(22)32-17-24(28)27(19-11-13-20(31-4)14-12-19)33(29,30)21-15-9-18(26)10-16-21/h5-16H,17H2,1-4H3.
What are the key properties of 2-(2-tert-butylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide?
2-(2-tert-butylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 488.01 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 19217758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).