N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide

C28H33NO4S — CID 19218406

IUPACN-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCCCCc1ccc(N(C(=O)COc2c(C)ccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H33NO4S/c1-6-7-8-24-13-15-25(16-14-24)29(34(31,32)26-17-9-20(2)10-18-26)27(30)19-33-28-22(4)12-11-21(3)23(28)5/h9-18H,6-8,19H2,1-5H3
InChIKeyVDHHMFJQKPLNHL-UHFFFAOYSA-N
MW479.64 g/mol
LogP6.06
Rot. Bonds9

About N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide

N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide (PubChem CID 19218406) has the molecular formula C28H33NO4S and a molecular weight of 479.64 g/mol. Its IUPAC name is N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide
PubChem CID19218406
Molecular FormulaC28H33NO4S
Molecular Weight479.64 g/mol
Exact Mass479.21
IUPAC NameN-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCCCCc1ccc(N(C(=O)COc2c(C)ccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H33NO4S/c1-6-7-8-24-13-15-25(16-14-24)29(34(31,32)26-17-9-20(2)10-18-26)27(30)19-33-28-22(4)12-11-21(3)23(28)5/h9-18H,6-8,19H2,1-5H3
InChIKeyVDHHMFJQKPLNHL-UHFFFAOYSA-N
XLogP6.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.64
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide
CID 19212877
N-(4-methylphenyl)sulfonyl-N-phenyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 19218394
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide
CID 19210416
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
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-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 19217557
N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide
CID 19210939
2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19217830
N-(4-ethoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19212681
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19210617

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide?
The IUPAC name of N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide (CID 19218406) is N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide is CCCCc1ccc(N(C(=O)COc2c(C)ccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide?
The InChIKey is VDHHMFJQKPLNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO4S/c1-6-7-8-24-13-15-25(16-14-24)29(34(31,32)26-17-9-20(2)10-18-26)27(30)19-33-28-22(4)12-11-21(3)23(28)5/h9-18H,6-8,19H2,1-5H3.
What are the key properties of N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide?
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide has a molecular weight of 479.64 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 19218406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).