N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-phenoxybutanamide

C24H25NO4S — CID 19218618

IUPACN-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-phenoxybutanamide
SMILESCc1cccc(N(C(=O)CCCOc2ccccc2)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C24H25NO4S/c1-19-11-9-16-23(20(19)2)25(30(27,28)22-14-7-4-8-15-22)24(26)17-10-18-29-21-12-5-3-6-13-21/h3-9,11-16H,10,17-18H2,1-2H3
InChIKeyGLBPVGLPLVNGJV-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.88
Rot. Bonds8

About N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-phenoxybutanamide

N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-phenoxybutanamide (PubChem CID 19218618) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-phenoxybutanamide
PubChem CID19218618
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC NameN-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-phenoxybutanamide
SMILESCc1cccc(N(C(=O)CCCOc2ccccc2)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C24H25NO4S/c1-19-11-9-16-23(20(19)2)25(30(27,28)22-14-7-4-8-15-22)24(26)17-10-18-29-21-12-5-3-6-13-21/h3-9,11-16H,10,17-18H2,1-2H3
InChIKeyGLBPVGLPLVNGJV-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)-N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)butanamide
CID 19218726
4-(4-chloro-3,5-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylbutanamide
CID 19219251
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-3-phenylpropanamide
CID 19210498
N-(benzenesulfonyl)-2-(3-bromophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 19218031
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-phenoxybutanamide
CID 19218621
N-(benzenesulfonyl)-N-(4-butylphenyl)-4-phenoxybutanamide
CID 19218615
4-(4-methylphenoxy)-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19218749
N-(benzenesulfonyl)-4-(4-tert-butylphenoxy)-N-phenylbutanamide
CID 19218783
N-(benzenesulfonyl)-N-(4-butylphenyl)-4-(3-methylphenoxy)butanamide
CID 19218723
2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19217830
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-(3-methylphenoxy)butanamide
CID 19218729
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 19210991

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-phenoxybutanamide?
The IUPAC name of N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-phenoxybutanamide (CID 19218618) is N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-phenoxybutanamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-phenoxybutanamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-phenoxybutanamide is Cc1cccc(N(C(=O)CCCOc2ccccc2)S(=O)(=O)c2ccccc2)c1C.
What is the InChIKey of N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-phenoxybutanamide?
The InChIKey is GLBPVGLPLVNGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-19-11-9-16-23(20(19)2)25(30(27,28)22-14-7-4-8-15-22)24(26)17-10-18-29-21-12-5-3-6-13-21/h3-9,11-16H,10,17-18H2,1-2H3.
What are the key properties of N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-phenoxybutanamide?
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-phenoxybutanamide 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 N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-phenoxybutanamide is sourced from PubChem (CID 19218618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).