2-(2-tert-butylphenoxy)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide

C28H32ClNO4S — CID 19217762

IUPAC2-(2-tert-butylphenoxy)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide
SMILESCCCCc1ccc(N(C(=O)COc2ccccc2C(C)(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H32ClNO4S/c1-5-6-9-21-12-16-23(17-13-21)30(35(32,33)24-18-14-22(29)15-19-24)27(31)20-34-26-11-8-7-10-25(26)28(2,3)4/h7-8,10-19H,5-6,9,20H2,1-4H3
InChIKeyMNZBPJXHLKANDK-UHFFFAOYSA-N
MW514.09 g/mol
LogP6.78
Rot. Bonds9

About 2-(2-tert-butylphenoxy)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide

2-(2-tert-butylphenoxy)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide (PubChem CID 19217762) has the molecular formula C28H32ClNO4S and a molecular weight of 514.09 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide
PubChem CID19217762
Molecular FormulaC28H32ClNO4S
Molecular Weight514.09 g/mol
Exact Mass513.17
IUPAC Name2-(2-tert-butylphenoxy)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide
SMILESCCCCc1ccc(N(C(=O)COc2ccccc2C(C)(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H32ClNO4S/c1-5-6-9-21-12-16-23(17-13-21)30(35(32,33)24-18-14-22(29)15-19-24)27(31)20-34-26-11-8-7-10-25(26)28(2,3)4/h7-8,10-19H,5-6,9,20H2,1-4H3
InChIKeyMNZBPJXHLKANDK-UHFFFAOYSA-N
XLogP6.78
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.09
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-tert-butylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217758
2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19218232
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide
CID 19218443
2-(2-tert-butyl-4-methylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19217723
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide
CID 19212877
N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonyl-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 19219040
N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 19217557
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19212810
2-(4-bromo-2-ethylphenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19219771
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 19218406
2-(2-bromo-4-propylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19219952
N-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide
CID 19218615

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide (CID 19217762) is 2-(2-tert-butylphenoxy)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide is CCCCc1ccc(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-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide?
The InChIKey is MNZBPJXHLKANDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClNO4S/c1-5-6-9-21-12-16-23(17-13-21)30(35(32,33)24-18-14-22(29)15-19-24)27(31)20-34-26-11-8-7-10-25(26)28(2,3)4/h7-8,10-19H,5-6,9,20H2,1-4H3.
What are the key properties of 2-(2-tert-butylphenoxy)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide?
2-(2-tert-butylphenoxy)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide has a molecular weight of 514.09 g/mol, XLogP of 6.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide is sourced from PubChem (CID 19217762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).