2-(3-fluoro-N-methylsulfonylanilino)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide

C20H21FN4O4S — CID 132669480

IUPAC2-(3-fluoro-N-methylsulfonylanilino)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
SMILESCc1cccc(-c2noc(CNC(=O)C(C)N(c3cccc(F)c3)S(C)(=O)=O)n2)c1
InChIInChI=1S/C20H21FN4O4S/c1-13-6-4-7-15(10-13)19-23-18(29-24-19)12-22-20(26)14(2)25(30(3,27)28)17-9-5-8-16(21)11-17/h4-11,14H,12H2,1-3H3,(H,22,26)
InChIKeyFQUKRLYCWLQBJZ-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.66
Rot. Bonds7

About 2-(3-fluoro-N-methylsulfonylanilino)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide

2-(3-fluoro-N-methylsulfonylanilino)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide (PubChem CID 132669480) has the molecular formula C20H21FN4O4S and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-(3-fluoro-N-methylsulfonylanilino)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(3-fluoro-N-methylsulfonylanilino)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
PubChem CID132669480
Molecular FormulaC20H21FN4O4S
Molecular Weight432.48 g/mol
Exact Mass432.13
IUPAC Name2-(3-fluoro-N-methylsulfonylanilino)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
SMILESCc1cccc(-c2noc(CNC(=O)C(C)N(c3cccc(F)c3)S(C)(=O)=O)n2)c1
InChIInChI=1S/C20H21FN4O4S/c1-13-6-4-7-15(10-13)19-23-18(29-24-19)12-22-20(26)14(2)25(30(3,27)28)17-9-5-8-16(21)11-17/h4-11,14H,12H2,1-3H3,(H,22,26)
InChIKeyFQUKRLYCWLQBJZ-UHFFFAOYSA-N
XLogP2.66
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-fluoro-N-methylsulfonylanilino)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 132669482
2-(3-fluoro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide
CID 133187984
2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53288479
N-[(2,5-diethylphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 133265286
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6459027
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)butanamide
CID 132673104
(2S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxypropanamide
CID 7393230
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylsulfanylpropanamide
CID 132653294
N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288205
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylbutanamide
CID 6462939
2-benzylsulfanyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 132655000
2-(2,4-dimethylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 50875003

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide (CID 132669480) is 2-(3-fluoro-N-methylsulfonylanilino)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide.
What is the SMILES notation for 2-(3-fluoro-N-methylsulfonylanilino)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The canonical SMILES for 2-(3-fluoro-N-methylsulfonylanilino)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide is Cc1cccc(-c2noc(CNC(=O)C(C)N(c3cccc(F)c3)S(C)(=O)=O)n2)c1.
What is the InChIKey of 2-(3-fluoro-N-methylsulfonylanilino)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The InChIKey is FQUKRLYCWLQBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4S/c1-13-6-4-7-15(10-13)19-23-18(29-24-19)12-22-20(26)14(2)25(30(3,27)28)17-9-5-8-16(21)11-17/h4-11,14H,12H2,1-3H3,(H,22,26).
What are the key properties of 2-(3-fluoro-N-methylsulfonylanilino)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
2-(3-fluoro-N-methylsulfonylanilino)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide has a molecular weight of 432.48 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-methylsulfonylanilino)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide is sourced from PubChem (CID 132669480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).