N-[2-(4-aminophenyl)ethyl]-5-(4-methylsulfonylphenoxy)pentanamide

C20H26N2O4S — CID 119548220

IUPACN-[2-(4-aminophenyl)ethyl]-5-(4-methylsulfonylphenoxy)pentanamide
SMILESCS(=O)(=O)c1ccc(OCCCCC(=O)NCCc2ccc(N)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-27(24,25)19-11-9-18(10-12-19)26-15-3-2-4-20(23)22-14-13-16-5-7-17(21)8-6-16/h5-12H,2-4,13-15,21H2,1H3,(H,22,23)
InChIKeyOXKHEZNJNZOOIB-UHFFFAOYSA-N
MW390.50 g/mol
LogP2.58
Rot. Bonds10

About N-[2-(4-aminophenyl)ethyl]-5-(4-methylsulfonylphenoxy)pentanamide

N-[2-(4-aminophenyl)ethyl]-5-(4-methylsulfonylphenoxy)pentanamide (PubChem CID 119548220) has the molecular formula C20H26N2O4S and a molecular weight of 390.50 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-5-(4-methylsulfonylphenoxy)pentanamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-5-(4-methylsulfonylphenoxy)pentanamide
PubChem CID119548220
Molecular FormulaC20H26N2O4S
Molecular Weight390.50 g/mol
Exact Mass390.16
IUPAC NameN-[2-(4-aminophenyl)ethyl]-5-(4-methylsulfonylphenoxy)pentanamide
SMILESCS(=O)(=O)c1ccc(OCCCCC(=O)NCCc2ccc(N)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-27(24,25)19-11-9-18(10-12-19)26-15-3-2-4-20(23)22-14-13-16-5-7-17(21)8-6-16/h5-12H,2-4,13-15,21H2,1H3,(H,22,23)
InChIKeyOXKHEZNJNZOOIB-UHFFFAOYSA-N
XLogP2.58
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[2-(4-aminophenyl)ethyl]-5-(4-methylsulfonylphenoxy)pentanamide 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-[2-(4-aminophenyl)ethyl]-3-(4-methylsulfonylphenoxy)propanamide
CID 119549392
N-[2-(4-aminophenyl)ethyl]-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 119549391
N-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride
CID 119547618
N,N'-bis[5-(4-aminophenoxy)pentyl]pentanediamide;methanesulfonic acid
CID 21150343
4-[4-(4-methylsulfonylphenoxy)butanoylamino]butanoic acid
CID 119170534
N-[2-(4-aminophenyl)ethyl]decanamide
CID 22980985
N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide
CID 84816880
N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide
CID 119548986
6-[2-(4-aminophenyl)ethylamino]-6-oxohexanoic acid
CID 110483471
5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110297842
N-benzyl-4-(4-methylsulfonylphenoxy)butanamide
CID 51096243
3-(4-aminophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide
CID 106332599

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-5-(4-methylsulfonylphenoxy)pentanamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-5-(4-methylsulfonylphenoxy)pentanamide (CID 119548220) is N-[2-(4-aminophenyl)ethyl]-5-(4-methylsulfonylphenoxy)pentanamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-5-(4-methylsulfonylphenoxy)pentanamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-5-(4-methylsulfonylphenoxy)pentanamide is CS(=O)(=O)c1ccc(OCCCCC(=O)NCCc2ccc(N)cc2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-5-(4-methylsulfonylphenoxy)pentanamide?
The InChIKey is OXKHEZNJNZOOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-27(24,25)19-11-9-18(10-12-19)26-15-3-2-4-20(23)22-14-13-16-5-7-17(21)8-6-16/h5-12H,2-4,13-15,21H2,1H3,(H,22,23).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-5-(4-methylsulfonylphenoxy)pentanamide?
N-[2-(4-aminophenyl)ethyl]-5-(4-methylsulfonylphenoxy)pentanamide has a molecular weight of 390.50 g/mol, XLogP of 2.58, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-5-(4-methylsulfonylphenoxy)pentanamide is sourced from PubChem (CID 119548220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).