2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[4-(2-methoxyphenyl)butyl]acetamide

C18H25N3O5S — CID 110616077

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[4-(2-methoxyphenyl)butyl]acetamide
SMILESCOc1ccccc1CCCCNC(=O)CNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C18H25N3O5S/c1-13-18(14(2)26-21-13)27(23,24)20-12-17(22)19-11-7-6-9-15-8-4-5-10-16(15)25-3/h4-5,8,10,20H,6-7,9,11-12H2,1-3H3,(H,19,22)
InChIKeyMEUCOKSRTHUMGF-UHFFFAOYSA-N
MW395.48 g/mol
LogP1.72
Rot. Bonds10

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[4-(2-methoxyphenyl)butyl]acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[4-(2-methoxyphenyl)butyl]acetamide (PubChem CID 110616077) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[4-(2-methoxyphenyl)butyl]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[4-(2-methoxyphenyl)butyl]acetamide
PubChem CID110616077
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[4-(2-methoxyphenyl)butyl]acetamide
SMILESCOc1ccccc1CCCCNC(=O)CNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C18H25N3O5S/c1-13-18(14(2)26-21-13)27(23,24)20-12-17(22)19-11-7-6-9-15-8-4-5-10-16(15)25-3/h4-5,8,10,20H,6-7,9,11-12H2,1-3H3,(H,19,22)
InChIKeyMEUCOKSRTHUMGF-UHFFFAOYSA-N
XLogP1.72
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3238779
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 31522653
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9402713
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 9490211
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 108572427
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108571064
N-[4-(2-methoxyphenyl)butyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110607236
N-[4-(2-methoxyphenyl)butyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110409207
N-[4-(4-methoxyphenyl)butyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110288844
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 30826058
methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate
CID 110295798
(5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
CID 8737041

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[4-(2-methoxyphenyl)butyl]acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[4-(2-methoxyphenyl)butyl]acetamide (CID 110616077) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[4-(2-methoxyphenyl)butyl]acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[4-(2-methoxyphenyl)butyl]acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[4-(2-methoxyphenyl)butyl]acetamide is COc1ccccc1CCCCNC(=O)CNS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[4-(2-methoxyphenyl)butyl]acetamide?
The InChIKey is MEUCOKSRTHUMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-13-18(14(2)26-21-13)27(23,24)20-12-17(22)19-11-7-6-9-15-8-4-5-10-16(15)25-3/h4-5,8,10,20H,6-7,9,11-12H2,1-3H3,(H,19,22).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[4-(2-methoxyphenyl)butyl]acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[4-(2-methoxyphenyl)butyl]acetamide has a molecular weight of 395.48 g/mol, XLogP of 1.72, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[4-(2-methoxyphenyl)butyl]acetamide is sourced from PubChem (CID 110616077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).