2-[(2-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H22FN3O4S — CID 2085383

IUPAC2-[(2-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(CCC(C)C)S(=O)(=O)c2ccccc2F)no1
InChIInChI=1S/C17H22FN3O4S/c1-12(2)8-9-21(11-17(22)19-16-10-13(3)25-20-16)26(23,24)15-7-5-4-6-14(15)18/h4-7,10,12H,8-9,11H2,1-3H3,(H,19,20,22)
InChIKeyMXXMUCFZFGGWOB-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.80
Rot. Bonds8

About 2-[(2-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(2-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2085383) has the molecular formula C17H22FN3O4S and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2085383
Molecular FormulaC17H22FN3O4S
Molecular Weight383.45 g/mol
Exact Mass383.13
IUPAC Name2-[(2-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(CCC(C)C)S(=O)(=O)c2ccccc2F)no1
InChIInChI=1S/C17H22FN3O4S/c1-12(2)8-9-21(11-17(22)19-16-10-13(3)25-20-16)26(23,24)15-7-5-4-6-14(15)18/h4-7,10,12H,8-9,11H2,1-3H3,(H,19,20,22)
InChIKeyMXXMUCFZFGGWOB-UHFFFAOYSA-N
XLogP2.80
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2521899
Acetylsulfisomezole
CID 87725
2-[(4-acetamidophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2468579
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate
CID 2490875
N-(5-methyl-1,2-oxazol-3-yl)-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 2533222
N-(5-methyl-1,2-oxazol-3-yl)-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxamide
CID 2998906
5-Methyl-3-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]isoxazole
CID 2740796
3,3,3-trifluoro-2-(trifluoromethyl)-N-[2,2,2-trifluoro-1-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}anilino)-1-(trifluoromethyl)ethyl]propanamide
CID 383671
N-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(phenylsulfonyl)amino]-3-phenylbutanamide
CID 3950427
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4844683
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2406649
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2594211

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(2-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2085383) is 2-[(2-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(CCC(C)C)S(=O)(=O)c2ccccc2F)no1.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is MXXMUCFZFGGWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O4S/c1-12(2)8-9-21(11-17(22)19-16-10-13(3)25-20-16)26(23,24)15-7-5-4-6-14(15)18/h4-7,10,12H,8-9,11H2,1-3H3,(H,19,20,22).
What are the key properties of 2-[(2-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(2-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2085383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).