N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide

C21H28N2O5S — CID 108573003

IUPACN-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCNC(=O)CCCOc1ccccc1
InChIInChI=1S/C21H28N2O5S/c1-16-14-19(27-3)20(15-17(16)2)29(25,26)23-12-11-22-21(24)10-7-13-28-18-8-5-4-6-9-18/h4-6,8-9,14-15,23H,7,10-13H2,1-3H3,(H,22,24)
InChIKeyFOZVFHKDOQLZNB-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.57
Rot. Bonds11

About N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide

N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide (PubChem CID 108573003) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide
PubChem CID108573003
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCNC(=O)CCCOc1ccccc1
InChIInChI=1S/C21H28N2O5S/c1-16-14-19(27-3)20(15-17(16)2)29(25,26)23-12-11-22-21(24)10-7-13-28-18-8-5-4-6-9-18/h4-6,8-9,14-15,23H,7,10-13H2,1-3H3,(H,22,24)
InChIKeyFOZVFHKDOQLZNB-UHFFFAOYSA-N
XLogP2.57
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide 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

2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108573136
3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108574284
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572092
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide
CID 108573042
2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108538068
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-2-sulfanylbenzamide
CID 108573477
1-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-phenoxybutan-1-one
CID 108569120
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 30365956
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide
CID 110601484
2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541769
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide?
The IUPAC name of N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide (CID 108573003) is N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide?
The canonical SMILES for N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide is COc1cc(C)c(C)cc1S(=O)(=O)NCCNC(=O)CCCOc1ccccc1.
What is the InChIKey of N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide?
The InChIKey is FOZVFHKDOQLZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-16-14-19(27-3)20(15-17(16)2)29(25,26)23-12-11-22-21(24)10-7-13-28-18-8-5-4-6-9-18/h4-6,8-9,14-15,23H,7,10-13H2,1-3H3,(H,22,24).
What are the key properties of N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide?
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide has a molecular weight of 420.53 g/mol, XLogP of 2.57, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide is sourced from PubChem (CID 108573003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).