2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C15H27N3O4S — CID 4549592

IUPAC2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCCCN(CC(=O)Nc1cc(C)on1)S(=O)(=O)CCCC
InChIInChI=1S/C15H27N3O4S/c1-4-6-8-9-18(23(20,21)10-7-5-2)12-15(19)16-14-11-13(3)22-17-14/h11H,4-10,12H2,1-3H3,(H,16,17,19)
InChIKeyXOAFFMCZIWFFQL-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.54
Rot. Bonds11

About 2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 4549592) has the molecular formula C15H27N3O4S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID4549592
Molecular FormulaC15H27N3O4S
Molecular Weight345.47 g/mol
Exact Mass345.17
IUPAC Name2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCCCN(CC(=O)Nc1cc(C)on1)S(=O)(=O)CCCC
InChIInChI=1S/C15H27N3O4S/c1-4-6-8-9-18(23(20,21)10-7-5-2)12-15(19)16-14-11-13(3)22-17-14/h11H,4-10,12H2,1-3H3,(H,16,17,19)
InChIKeyXOAFFMCZIWFFQL-UHFFFAOYSA-N
XLogP2.54
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.54
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-[butylsulfonyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3307348
2-[hexyl(methylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3404528
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
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-pentylpropanamide
CID 24715041
2-[dimethylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4547465
2-[2-hydroxyethyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 111120306
2-[hexyl(naphthalen-1-ylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769352
2-[ethylcarbamoyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3516799
2-(butylsulfonylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370271
2-[butylcarbamoyl(hexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3653296
N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 5121720

Frequently Asked Questions

What is the IUPAC name of 2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 4549592) is 2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCCCCN(CC(=O)Nc1cc(C)on1)S(=O)(=O)CCCC.
What is the InChIKey of 2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is XOAFFMCZIWFFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4S/c1-4-6-8-9-18(23(20,21)10-7-5-2)12-15(19)16-14-11-13(3)22-17-14/h11H,4-10,12H2,1-3H3,(H,16,17,19).
What are the key properties of 2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.54, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 4549592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).