N-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide

C26H29NO4S — CID 19218615

IUPACN-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide
SMILESCCCCc1ccc(N(C(=O)CCCOc2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H29NO4S/c1-2-3-11-22-17-19-23(20-18-22)27(32(29,30)25-14-8-5-9-15-25)26(28)16-10-21-31-24-12-6-4-7-13-24/h4-9,12-15,17-20H,2-3,10-11,16,21H2,1H3
InChIKeyFRGAQJJKIXODHT-UHFFFAOYSA-N
MW451.59 g/mol
LogP5.61
Rot. Bonds11

About N-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide

N-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide (PubChem CID 19218615) has the molecular formula C26H29NO4S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide
PubChem CID19218615
Molecular FormulaC26H29NO4S
Molecular Weight451.59 g/mol
Exact Mass451.18
IUPAC NameN-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide
SMILESCCCCc1ccc(N(C(=O)CCCOc2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H29NO4S/c1-2-3-11-22-17-19-23(20-18-22)27(32(29,30)25-14-8-5-9-15-25)26(28)16-10-21-31-24-12-6-4-7-13-24/h4-9,12-15,17-20H,2-3,10-11,16,21H2,1H3
InChIKeyFRGAQJJKIXODHT-UHFFFAOYSA-N
XLogP5.61
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.59
LogP ≤ 55.61
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

N-(benzenesulfonyl)-N-(4-butylphenyl)-4-(3-methylphenoxy)butanamide
CID 19218723
N-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19218787
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylpentanamide
CID 19210416
N-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-phenylbutanamide
CID 19218783
N-(benzenesulfonyl)-N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 19217557
4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19218749
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-phenoxybutanamide
CID 19218618
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonyl-2-(4-propylphenoxy)acetamide
CID 19212877
N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-(4-ethylphenoxy)butanamide
CID 19218865
4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide
CID 19218828
N-(benzenesulfonyl)-4-(2,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19218970
N-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218720

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide?
The IUPAC name of N-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide (CID 19218615) is N-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide is CCCCc1ccc(N(C(=O)CCCOc2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide?
The InChIKey is FRGAQJJKIXODHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4S/c1-2-3-11-22-17-19-23(20-18-22)27(32(29,30)25-14-8-5-9-15-25)26(28)16-10-21-31-24-12-6-4-7-13-24/h4-9,12-15,17-20H,2-3,10-11,16,21H2,1H3.
What are the key properties of N-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide?
N-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide has a molecular weight of 451.59 g/mol, XLogP of 5.61, 11 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)-4-phenoxybutanamide is sourced from PubChem (CID 19218615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).