2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C22H27N3O4S — CID 42769352

IUPAC2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCCCCN(CC(=O)Nc1cc(C)on1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C22H27N3O4S/c1-3-4-5-8-14-25(16-22(26)23-21-15-17(2)29-24-21)30(27,28)20-13-9-11-18-10-6-7-12-19(18)20/h6-7,9-13,15H,3-5,8,14,16H2,1-2H3,(H,23,24,26)
InChIKeyRDYVNCQWWDYQES-UHFFFAOYSA-N
MW429.54 g/mol
LogP4.35
Rot. Bonds10

About 2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 42769352) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID42769352
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCCCCN(CC(=O)Nc1cc(C)on1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C22H27N3O4S/c1-3-4-5-8-14-25(16-22(26)23-21-15-17(2)29-24-21)30(27,28)20-13-9-11-18-10-6-7-12-19(18)20/h6-7,9-13,15H,3-5,8,14,16H2,1-2H3,(H,23,24,26)
InChIKeyRDYVNCQWWDYQES-UHFFFAOYSA-N
XLogP4.35
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[hexyl(methylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3404528
2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4549592
2-[3-methylbutyl(quinolin-8-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769392
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide
CID 42768818
2-[naphthalen-2-ylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769416
2-[dimethylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4547465
2-[(4-fluorophenyl)sulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3650792
2-[methyl(naphthalen-1-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60570476
N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 5121720
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-pentylpropanamide
CID 24715041
2-[benzenesulfonyl(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769393
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[naphthalen-1-ylsulfonyl(propyl)amino]acetamide
CID 42740730

Frequently Asked Questions

What is the IUPAC name of 2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 42769352) is 2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCCCCCN(CC(=O)Nc1cc(C)on1)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is RDYVNCQWWDYQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-3-4-5-8-14-25(16-22(26)23-21-15-17(2)29-24-21)30(27,28)20-13-9-11-18-10-6-7-12-19(18)20/h6-7,9-13,15H,3-5,8,14,16H2,1-2H3,(H,23,24,26).
What are the key properties of 2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 429.54 g/mol, XLogP of 4.35, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 42769352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).