2-[butylsulfonyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide

C15H27N3O4S — CID 42770970

IUPAC2-[butylsulfonyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCCCCCCN(CC(=O)Nc1ccon1)S(=O)(=O)CCCC
InChIInChI=1S/C15H27N3O4S/c1-3-5-7-8-10-18(23(20,21)12-6-4-2)13-15(19)16-14-9-11-22-17-14/h9,11H,3-8,10,12-13H2,1-2H3,(H,16,17,19)
InChIKeyMVCXCRQUIJBLLL-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.63
Rot. Bonds12

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

2-[butylsulfonyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 42770970) has the molecular formula C15H27N3O4S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[butylsulfonyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[butylsulfonyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
PubChem CID42770970
Molecular FormulaC15H27N3O4S
Molecular Weight345.47 g/mol
Exact Mass345.17
IUPAC Name2-[butylsulfonyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCCCCCCN(CC(=O)Nc1ccon1)S(=O)(=O)CCCC
InChIInChI=1S/C15H27N3O4S/c1-3-5-7-8-10-18(23(20,21)12-6-4-2)13-15(19)16-14-9-11-22-17-14/h9,11H,3-8,10,12-13H2,1-2H3,(H,16,17,19)
InChIKeyMVCXCRQUIJBLLL-UHFFFAOYSA-N
XLogP2.63
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.63
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(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42664185
2-[(4-chlorophenyl)sulfonyl-hexylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 3702192
2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4549592
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663984
2-[naphthalen-2-ylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769416
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 4075259
2-[ethylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 3628865
N-hexyl-2,2-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 42769041
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propyltetradecanamide
CID 42664167
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663973
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-yloctanamide
CID 42769111
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 5064786

Frequently Asked Questions

What is the IUPAC name of 2-[butylsulfonyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[butylsulfonyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide (CID 42770970) is 2-[butylsulfonyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[butylsulfonyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[butylsulfonyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide is CCCCCCN(CC(=O)Nc1ccon1)S(=O)(=O)CCCC.
What is the InChIKey of 2-[butylsulfonyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is MVCXCRQUIJBLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4S/c1-3-5-7-8-10-18(23(20,21)12-6-4-2)13-15(19)16-14-9-11-22-17-14/h9,11H,3-8,10,12-13H2,1-2H3,(H,16,17,19).
What are the key properties of 2-[butylsulfonyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
2-[butylsulfonyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.63, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butylsulfonyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 42770970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).