N-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide

C26H29NO5S — CID 19218720

IUPACN-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide
SMILESCCOc1ccc(N(C(=O)CCCOc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H29NO5S/c1-4-31-23-14-12-22(13-15-23)27(33(29,30)25-16-10-20(2)11-17-25)26(28)9-6-18-32-24-8-5-7-21(3)19-24/h5,7-8,10-17,19H,4,6,9,18H2,1-3H3
InChIKeyZUSXDLVXXJZQJE-UHFFFAOYSA-N
MW467.59 g/mol
LogP5.28
Rot. Bonds10

About N-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide

N-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide (PubChem CID 19218720) has the molecular formula C26H29NO5S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide
PubChem CID19218720
Molecular FormulaC26H29NO5S
Molecular Weight467.59 g/mol
Exact Mass467.18
IUPAC NameN-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide
SMILESCCOc1ccc(N(C(=O)CCCOc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H29NO5S/c1-4-31-23-14-12-22(13-15-23)27(33(29,30)25-16-10-20(2)11-17-25)26(28)9-6-18-32-24-8-5-7-21(3)19-24/h5,7-8,10-17,19H,4,6,9,18H2,1-3H3
InChIKeyZUSXDLVXXJZQJE-UHFFFAOYSA-N
XLogP5.28
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.59
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19218749
N-(benzenesulfonyl)-N-(4-butylphenyl)-4-(3-methylphenoxy)butanamide
CID 19218723
4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide
CID 19218828
N-(4-ethoxyphenyl)-2-(3-methoxyphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19220163
N-(4-ethoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19212681
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide
CID 19218729
4-(2,4-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218973
N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-(4-ethylphenoxy)butanamide
CID 19218865
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)butanamide
CID 19218726
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
CID 19212618
N-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide
CID 19218615

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide (CID 19218720) is N-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide is CCOc1ccc(N(C(=O)CCCOc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide?
The InChIKey is ZUSXDLVXXJZQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO5S/c1-4-31-23-14-12-22(13-15-23)27(33(29,30)25-16-10-20(2)11-17-25)26(28)9-6-18-32-24-8-5-7-21(3)19-24/h5,7-8,10-17,19H,4,6,9,18H2,1-3H3.
What are the key properties of N-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide?
N-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide has a molecular weight of 467.59 g/mol, XLogP of 5.28, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide is sourced from PubChem (CID 19218720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).