N-(benzenesulfonyl)-4-(2,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide

C26H29NO4S — CID 19218970

IUPACN-(benzenesulfonyl)-4-(2,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
SMILESCCc1ccc(N(C(=O)CCCOc2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H29NO4S/c1-4-22-13-15-23(16-14-22)27(32(29,30)24-9-6-5-7-10-24)26(28)11-8-18-31-25-17-12-20(2)19-21(25)3/h5-7,9-10,12-17,19H,4,8,11,18H2,1-3H3
InChIKeyFJDDYZGKMLJPRT-UHFFFAOYSA-N
MW451.59 g/mol
LogP5.45
Rot. Bonds9

About N-(benzenesulfonyl)-4-(2,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide

N-(benzenesulfonyl)-4-(2,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide (PubChem CID 19218970) has the molecular formula C26H29NO4S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-(2,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-(2,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
PubChem CID19218970
Molecular FormulaC26H29NO4S
Molecular Weight451.59 g/mol
Exact Mass451.18
IUPAC NameN-(benzenesulfonyl)-4-(2,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
SMILESCCc1ccc(N(C(=O)CCCOc2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H29NO4S/c1-4-22-13-15-23(16-14-22)27(32(29,30)24-9-6-5-7-10-24)26(28)11-8-18-31-25-17-12-20(2)19-21(25)3/h5-7,9-10,12-17,19H,4,8,11,18H2,1-3H3
InChIKeyFJDDYZGKMLJPRT-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

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-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218975
4-(2,4-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218973
N-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19218787
N-(benzenesulfonyl)-N-(4-butylphenyl)-4-(3-methylphenoxy)butanamide
CID 19218723
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide
CID 19212677
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19218121
4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19218749
N-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide
CID 19218615
N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19219981
N-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218720
4-(2-bromo-4-ethylphenoxy)-N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)butanamide
CID 19219662
N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-(4-ethylphenoxy)butanamide
CID 19218865

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-4-(2,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide?
The IUPAC name of N-(benzenesulfonyl)-4-(2,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide (CID 19218970) is N-(benzenesulfonyl)-4-(2,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide.
What is the SMILES notation for N-(benzenesulfonyl)-4-(2,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide?
The canonical SMILES for N-(benzenesulfonyl)-4-(2,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide is CCc1ccc(N(C(=O)CCCOc2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-4-(2,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide?
The InChIKey is FJDDYZGKMLJPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4S/c1-4-22-13-15-23(16-14-22)27(32(29,30)24-9-6-5-7-10-24)26(28)11-8-18-31-25-17-12-20(2)19-21(25)3/h5-7,9-10,12-17,19H,4,8,11,18H2,1-3H3.
What are the key properties of N-(benzenesulfonyl)-4-(2,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide?
N-(benzenesulfonyl)-4-(2,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide 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)-4-(2,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide is sourced from PubChem (CID 19218970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).