2-(3-fluoro-N-methylsulfonylanilino)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide

C15H17FN4O3S — CID 50951637

IUPAC2-(3-fluoro-N-methylsulfonylanilino)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
SMILESCN(Cc1cnccn1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C15H17FN4O3S/c1-19(10-13-9-17-6-7-18-13)15(21)11-20(24(2,22)23)14-5-3-4-12(16)8-14/h3-9H,10-11H2,1-2H3
InChIKeyNUINHKFPRJTDAN-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.04
Rot. Bonds6

About 2-(3-fluoro-N-methylsulfonylanilino)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide

2-(3-fluoro-N-methylsulfonylanilino)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide (PubChem CID 50951637) has the molecular formula C15H17FN4O3S and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(3-fluoro-N-methylsulfonylanilino)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-N-methylsulfonylanilino)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
PubChem CID50951637
Molecular FormulaC15H17FN4O3S
Molecular Weight352.39 g/mol
Exact Mass352.10
IUPAC Name2-(3-fluoro-N-methylsulfonylanilino)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
SMILESCN(Cc1cnccn1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C15H17FN4O3S/c1-19(10-13-9-17-6-7-18-13)15(21)11-20(24(2,22)23)14-5-3-4-12(16)8-14/h3-9H,10-11H2,1-2H3
InChIKeyNUINHKFPRJTDAN-UHFFFAOYSA-N
XLogP1.04
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 46770513
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 1090625
N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-methylacetamide
CID 1203987
N-benzyl-2-(3-bromo-N-methylsulfonylanilino)-N-methylacetamide
CID 1095173
2-(3-fluoro-N-methylsulfonylanilino)-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 38014764
ethyl 4-[2-(3-fluoro-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 1006889
2-(3-chloro-N-methylsulfonylanilino)-N,N-dimethylacetamide
CID 846764
N-benzyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-methylacetamide
CID 30257196
N-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 3154525
2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113155558
(2S)-2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100687099
2-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 132678889

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide (CID 50951637) is 2-(3-fluoro-N-methylsulfonylanilino)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-fluoro-N-methylsulfonylanilino)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-fluoro-N-methylsulfonylanilino)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide is CN(Cc1cnccn1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-fluoro-N-methylsulfonylanilino)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
The InChIKey is NUINHKFPRJTDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3S/c1-19(10-13-9-17-6-7-18-13)15(21)11-20(24(2,22)23)14-5-3-4-12(16)8-14/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-(3-fluoro-N-methylsulfonylanilino)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
2-(3-fluoro-N-methylsulfonylanilino)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide has a molecular weight of 352.39 g/mol, XLogP of 1.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-methylsulfonylanilino)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide is sourced from PubChem (CID 50951637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).