4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide

C24H25NO4S — CID 19218749

IUPAC4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
SMILESCc1ccc(OCCCC(=O)N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25NO4S/c1-19-10-14-22(15-11-19)29-18-6-9-24(26)25(21-7-4-3-5-8-21)30(27,28)23-16-12-20(2)13-17-23/h3-5,7-8,10-17H,6,9,18H2,1-2H3
InChIKeyMFONXQRATXJBLP-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.88
Rot. Bonds8

About 4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide

4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide (PubChem CID 19218749) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide.

Molecular Properties

Compound Name4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
PubChem CID19218749
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Name4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
SMILESCc1ccc(OCCCC(=O)N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25NO4S/c1-19-10-14-22(15-11-19)29-18-6-9-24(26)25(21-7-4-3-5-8-21)30(27,28)23-16-12-20(2)13-17-23/h3-5,7-8,10-17H,6,9,18H2,1-2H3
InChIKeyMFONXQRATXJBLP-UHFFFAOYSA-N
XLogP4.88
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.88
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-(4-ethoxyphenyl)-4-(3-methylphenoxy)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218720
N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
CID 19212618
4-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218975
4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide
CID 19218828
N-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide
CID 19218615
N-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19218787
4-(2,4-dimethylphenoxy)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19218973
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide
CID 19218621
N-(benzenesulfonyl)-4-(4-chloro-3,5-dimethylphenoxy)-N-(4-methoxyphenyl)butanamide
CID 19219241
N-(4-ethoxyphenyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19212681

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide?
The IUPAC name of 4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide (CID 19218749) is 4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide.
What is the SMILES notation for 4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide?
The canonical SMILES for 4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide is Cc1ccc(OCCCC(=O)N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide?
The InChIKey is MFONXQRATXJBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-19-10-14-22(15-11-19)29-18-6-9-24(26)25(21-7-4-3-5-8-21)30(27,28)23-16-12-20(2)13-17-23/h3-5,7-8,10-17H,6,9,18H2,1-2H3.
What are the key properties of 4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide?
4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide has a molecular weight of 423.53 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide is sourced from PubChem (CID 19218749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).