2-[naphthalen-2-ylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide

C20H23N3O4S — CID 42769416

IUPAC2-[naphthalen-2-ylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCCCCCN(CC(=O)Nc1ccon1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H23N3O4S/c1-2-3-6-12-23(15-20(24)21-19-11-13-27-22-19)28(25,26)18-10-9-16-7-4-5-8-17(16)14-18/h4-5,7-11,13-14H,2-3,6,12,15H2,1H3,(H,21,22,24)
InChIKeyIMHHLHSQWPWVRH-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.65
Rot. Bonds9

About 2-[naphthalen-2-ylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide

2-[naphthalen-2-ylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 42769416) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-[naphthalen-2-ylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[naphthalen-2-ylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide
PubChem CID42769416
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name2-[naphthalen-2-ylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCCCCCN(CC(=O)Nc1ccon1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H23N3O4S/c1-2-3-6-12-23(15-20(24)21-19-11-13-27-22-19)28(25,26)18-10-9-16-7-4-5-8-17(16)14-18/h4-5,7-11,13-14H,2-3,6,12,15H2,1H3,(H,21,22,24)
InChIKeyIMHHLHSQWPWVRH-UHFFFAOYSA-N
XLogP3.65
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[naphthalen-2-ylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide 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-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 3704989
2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 3702192
2-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide
CID 143926016
2-[butylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42664185
2-[butylsulfonyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42770970
2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769352
N-(1,2-oxazol-3-yl)-2-[propyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 3369625
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 3485774
N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2234331
2-[butyl(naphthalen-2-ylsulfonyl)amino]-N-[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 3317731
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
6-[butyl(naphthalen-2-ylsulfonyl)amino]-2-(decanoylamino)hexanoic acid
CID 101015981

Frequently Asked Questions

What is the IUPAC name of 2-[naphthalen-2-ylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[naphthalen-2-ylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide (CID 42769416) is 2-[naphthalen-2-ylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[naphthalen-2-ylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[naphthalen-2-ylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide is CCCCCN(CC(=O)Nc1ccon1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[naphthalen-2-ylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is IMHHLHSQWPWVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-2-3-6-12-23(15-20(24)21-19-11-13-27-22-19)28(25,26)18-10-9-16-7-4-5-8-17(16)14-18/h4-5,7-11,13-14H,2-3,6,12,15H2,1H3,(H,21,22,24).
What are the key properties of 2-[naphthalen-2-ylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
2-[naphthalen-2-ylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 401.49 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[naphthalen-2-ylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 42769416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).