2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide

C16H20FN3O4S2 — CID 9490211

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
SMILESCc1noc(C)c1S(=O)(=O)NCC(=O)NCCSCc1ccccc1F
InChIInChI=1S/C16H20FN3O4S2/c1-11-16(12(2)24-20-11)26(22,23)19-9-15(21)18-7-8-25-10-13-5-3-4-6-14(13)17/h3-6,19H,7-10H2,1-2H3,(H,18,21)
InChIKeyFGZDGWIVTOSDSS-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.76
Rot. Bonds9

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide (PubChem CID 9490211) has the molecular formula C16H20FN3O4S2 and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
PubChem CID9490211
Molecular FormulaC16H20FN3O4S2
Molecular Weight401.49 g/mol
Exact Mass401.09
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
SMILESCc1noc(C)c1S(=O)(=O)NCC(=O)NCCSCc1ccccc1F
InChIInChI=1S/C16H20FN3O4S2/c1-11-16(12(2)24-20-11)26(22,23)19-9-15(21)18-7-8-25-10-13-5-3-4-6-14(13)17/h3-6,19H,7-10H2,1-2H3,(H,18,21)
InChIKeyFGZDGWIVTOSDSS-UHFFFAOYSA-N
XLogP1.76
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.76
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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9402713
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-methylurea
CID 55769039
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[4-(2-methoxyphenyl)butyl]acetamide
CID 110616077
(2,3-difluorophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
CID 40767791
N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-3-methylbenzamide
CID 46653254
N-[2-(4-chlorophenyl)sulfanylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 9259359
4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
CID 46653260
N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112983434
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574106
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 17396497
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103834780
3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
CID 64994317

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide (CID 9490211) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide is Cc1noc(C)c1S(=O)(=O)NCC(=O)NCCSCc1ccccc1F.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
The InChIKey is FGZDGWIVTOSDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O4S2/c1-11-16(12(2)24-20-11)26(22,23)19-9-15(21)18-7-8-25-10-13-5-3-4-6-14(13)17/h3-6,19H,7-10H2,1-2H3,(H,18,21).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide has a molecular weight of 401.49 g/mol, XLogP of 1.76, 9 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-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 9490211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).