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

C14H25N3O5S — CID 3307348

IUPAC2-[butylsulfonyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCCS(=O)(=O)N(CCCOC)CC(=O)Nc1cc(C)on1
InChIInChI=1S/C14H25N3O5S/c1-4-5-9-23(19,20)17(7-6-8-21-3)11-14(18)15-13-10-12(2)22-16-13/h10H,4-9,11H2,1-3H3,(H,15,16,18)
InChIKeyDUUUSQNQHCMWDT-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.39
Rot. Bonds11

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

2-[butylsulfonyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 3307348) has the molecular formula C14H25N3O5S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[butylsulfonyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[butylsulfonyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID3307348
Molecular FormulaC14H25N3O5S
Molecular Weight347.44 g/mol
Exact Mass347.15
IUPAC Name2-[butylsulfonyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCCS(=O)(=O)N(CCCOC)CC(=O)Nc1cc(C)on1
InChIInChI=1S/C14H25N3O5S/c1-4-5-9-23(19,20)17(7-6-8-21-3)11-14(18)15-13-10-12(2)22-16-13/h10H,4-9,11H2,1-3H3,(H,15,16,18)
InChIKeyDUUUSQNQHCMWDT-UHFFFAOYSA-N
XLogP1.39
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[butylsulfonyl(pentyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4549592
2-[hexyl(methylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3404528
N-(3-methoxypropyl)-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3339655
N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide
CID 4197817
N-(3-methoxypropyl)-2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3524677
ethyl 2-[[3-methoxypropyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate
CID 3475616
3-[acetyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113117245
2-[butylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42664185
2-[3-methoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4165943
2-[butylsulfonyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42770970
2-(butylsulfonylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370271
2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768964

Frequently Asked Questions

What is the IUPAC name of 2-[butylsulfonyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[butylsulfonyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 3307348) is 2-[butylsulfonyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[butylsulfonyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[butylsulfonyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCCCS(=O)(=O)N(CCCOC)CC(=O)Nc1cc(C)on1.
What is the InChIKey of 2-[butylsulfonyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is DUUUSQNQHCMWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O5S/c1-4-5-9-23(19,20)17(7-6-8-21-3)11-14(18)15-13-10-12(2)22-16-13/h10H,4-9,11H2,1-3H3,(H,15,16,18).
What are the key properties of 2-[butylsulfonyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[butylsulfonyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 347.44 g/mol, XLogP of 1.39, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butylsulfonyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 3307348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).