2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide

C21H23FN4O4S — CID 56568562

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
SMILESCc1cccc(-c2nc(C(C)C)no2)c1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H23FN4O4S/c1-13(2)20-24-21(30-25-20)17-7-5-6-14(3)19(17)23-18(27)12-26(4)31(28,29)16-10-8-15(22)9-11-16/h5-11,13H,12H2,1-4H3,(H,23,27)
InChIKeyJDLQYHRLPJWSQT-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.57
Rot. Bonds7

About 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide (PubChem CID 56568562) has the molecular formula C21H23FN4O4S and a molecular weight of 446.50 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
PubChem CID56568562
Molecular FormulaC21H23FN4O4S
Molecular Weight446.50 g/mol
Exact Mass446.14
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
SMILESCc1cccc(-c2nc(C(C)C)no2)c1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H23FN4O4S/c1-13(2)20-24-21(30-25-20)17-7-5-6-14(3)19(17)23-18(27)12-26(4)31(28,29)16-10-8-15(22)9-11-16/h5-11,13H,12H2,1-4H3,(H,23,27)
InChIKeyJDLQYHRLPJWSQT-UHFFFAOYSA-N
XLogP3.57
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methyl-N-methylsulfonylanilino)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 56568526
2-chloro-4-fluoro-N-[3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxopropyl]benzamide
CID 56568469
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 3880241
N-(2,6-dimethylphenyl)-2-[methyl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]acetamide
CID 133334438
2-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 26941914
N-(2,6-dimethylphenyl)-2-[methyl-(4-phenylphenyl)sulfonylamino]acetamide
CID 55908373
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 8577775
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 78772250
N-(2,6-dimethylphenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 1289243
2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 891784
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 26066021
2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 26941934

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide (CID 56568562) is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide is Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The InChIKey is JDLQYHRLPJWSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O4S/c1-13(2)20-24-21(30-25-20)17-7-5-6-14(3)19(17)23-18(27)12-26(4)31(28,29)16-10-8-15(22)9-11-16/h5-11,13H,12H2,1-4H3,(H,23,27).
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide has a molecular weight of 446.50 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 56568562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).