N-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-(4-ethylphenyl)butanamide

C28H33NO4S — CID 19218787

IUPACN-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-(4-ethylphenyl)butanamide
SMILESCCc1ccc(N(C(=O)CCCOc2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C28H33NO4S/c1-5-22-13-17-24(18-14-22)29(34(31,32)26-10-7-6-8-11-26)27(30)12-9-21-33-25-19-15-23(16-20-25)28(2,3)4/h6-8,10-11,13-20H,5,9,12,21H2,1-4H3
InChIKeyPVXZOQFDMUGMLE-UHFFFAOYSA-N
MW479.64 g/mol
LogP6.13
Rot. Bonds9

About N-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-(4-ethylphenyl)butanamide

N-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-(4-ethylphenyl)butanamide (PubChem CID 19218787) has the molecular formula C28H33NO4S and a molecular weight of 479.64 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-(4-ethylphenyl)butanamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-(4-ethylphenyl)butanamide
PubChem CID19218787
Molecular FormulaC28H33NO4S
Molecular Weight479.64 g/mol
Exact Mass479.21
IUPAC NameN-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-(4-ethylphenyl)butanamide
SMILESCCc1ccc(N(C(=O)CCCOc2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C28H33NO4S/c1-5-22-13-17-24(18-14-22)29(34(31,32)26-10-7-6-8-11-26)27(30)12-9-21-33-25-19-15-23(16-20-25)28(2,3)4/h6-8,10-11,13-20H,5,9,12,21H2,1-4H3
InChIKeyPVXZOQFDMUGMLE-UHFFFAOYSA-N
XLogP6.13
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 ≤ 56.13
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)-4-(4-tert-butylphenoxy)-N-phenylbutanamide
CID 19218783
N-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide
CID 19218615
N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-(4-ethylphenoxy)butanamide
CID 19218865
N-(benzenesulfonyl)-4-tert-butyl-N-(4-ethylphenyl)benzamide
CID 19211034
4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19218749
N-(benzenesulfonyl)-4-(2,4-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19218970
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-methylphenoxy)acetamide
CID 19212677
4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide
CID 19218828
N-(benzenesulfonyl)-N-(4-butylphenyl)-4-(3-methylphenoxy)butanamide
CID 19218723
N-(benzenesulfonyl)-N-(4-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 19217380
N-(benzenesulfonyl)-4-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)butanamide
CID 19219241
N-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218720

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-(4-ethylphenyl)butanamide?
The IUPAC name of N-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-(4-ethylphenyl)butanamide (CID 19218787) is N-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-(4-ethylphenyl)butanamide.
What is the SMILES notation for N-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-(4-ethylphenyl)butanamide?
The canonical SMILES for N-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-(4-ethylphenyl)butanamide is CCc1ccc(N(C(=O)CCCOc2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-(4-ethylphenyl)butanamide?
The InChIKey is PVXZOQFDMUGMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO4S/c1-5-22-13-17-24(18-14-22)29(34(31,32)26-10-7-6-8-11-26)27(30)12-9-21-33-25-19-15-23(16-20-25)28(2,3)4/h6-8,10-11,13-20H,5,9,12,21H2,1-4H3.
What are the key properties of N-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-(4-ethylphenyl)butanamide?
N-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-(4-ethylphenyl)butanamide has a molecular weight of 479.64 g/mol, XLogP of 6.13, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-(4-ethylphenyl)butanamide is sourced from PubChem (CID 19218787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).