4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide

C19H21NO3S — CID 27364869

IUPAC4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide
SMILESCSc1ccc(NC(=O)CCCOc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H21NO3S/c1-14(21)15-5-9-17(10-6-15)23-13-3-4-19(22)20-16-7-11-18(24-2)12-8-16/h5-12H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyBVWWMZITDPVBTI-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.41
Rot. Bonds8

About 4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide

4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide (PubChem CID 27364869) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide
PubChem CID27364869
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide
SMILESCSc1ccc(NC(=O)CCCOc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H21NO3S/c1-14(21)15-5-9-17(10-6-15)23-13-3-4-19(22)20-16-7-11-18(24-2)12-8-16/h5-12H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyBVWWMZITDPVBTI-UHFFFAOYSA-N
XLogP4.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
methyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
CID 7741287
4-[4-(4-acetylphenoxy)butanoylamino]-N-(4-ethoxyphenyl)benzamide
CID 4270360
butyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
CID 7926976
4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 2634671
5-(4-methylsulfanylphenoxy)pentan-2-one
CID 63648202
5-bromo-N-(4-methylsulfanylphenyl)pentanamide
CID 107907215
4-hydroxy-N-(4-methylsulfanylphenyl)butanamide
CID 79204834
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 7431944
N-(4-acetylphenyl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 41272367
4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide (CID 27364869) is 4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide is CSc1ccc(NC(=O)CCCOc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide?
The InChIKey is BVWWMZITDPVBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-14(21)15-5-9-17(10-6-15)23-13-3-4-19(22)20-16-7-11-18(24-2)12-8-16/h5-12H,3-4,13H2,1-2H3,(H,20,22).
What are the key properties of 4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide?
4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide has a molecular weight of 343.45 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide is sourced from PubChem (CID 27364869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).