N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide

C26H29NO4S — CID 19217557

IUPACN-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide
SMILESCCCCc1ccc(N(C(=O)COc2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H29NO4S/c1-4-5-9-22-13-15-23(16-14-22)27(32(29,30)25-10-7-6-8-11-25)26(28)19-31-24-17-12-20(2)21(3)18-24/h6-8,10-18H,4-5,9,19H2,1-3H3
InChIKeyNKKTZPQIOUGEJH-UHFFFAOYSA-N
MW451.59 g/mol
LogP5.45
Rot. Bonds9

About N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide

N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 19217557) has the molecular formula C26H29NO4S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide
PubChem CID19217557
Molecular FormulaC26H29NO4S
Molecular Weight451.59 g/mol
Exact Mass451.18
IUPAC NameN-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide
SMILESCCCCc1ccc(N(C(=O)COc2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H29NO4S/c1-4-5-9-22-13-15-23(16-14-22)27(32(29,30)25-10-7-6-8-11-25)26(28)19-31-24-17-12-20(2)21(3)18-24/h6-8,10-18H,4-5,9,19H2,1-3H3
InChIKeyNKKTZPQIOUGEJH-UHFFFAOYSA-N
XLogP5.45
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.59
LogP ≤ 55.45
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-(benzenesulfonyl)-N-(4-butylphenyl)-4-(3-methylphenoxy)butanamide
CID 19218723
N-(benzenesulfonyl)-2-(4-bromo-3-methylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 19217988
N-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide
CID 19218615
N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide
CID 19217409
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide
CID 19212677
N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 19218406
2-(2-bromophenoxy)-N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19218232
N-(benzenesulfonyl)-2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)acetamide
CID 19217513
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-butylphenyl)-N-(4-chlorophenyl)sulfonylacetamide
CID 19218443
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
CID 19212618

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide (CID 19217557) is N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide is CCCCc1ccc(N(C(=O)COc2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is NKKTZPQIOUGEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4S/c1-4-5-9-22-13-15-23(16-14-22)27(32(29,30)25-10-7-6-8-11-25)26(28)19-31-24-17-12-20(2)21(3)18-24/h6-8,10-18H,4-5,9,19H2,1-3H3.
What are the key properties of N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide?
N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 451.59 g/mol, XLogP of 5.45, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 19217557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).