N-[2-[3-(4-fluorophenyl)-2-pyridinyl]-5-methylsulfinylphenyl]acetamide

C20H17FN2O2S — CID 57013438

IUPACN-[2-[3-(4-fluorophenyl)-2-pyridinyl]-5-methylsulfinylphenyl]acetamide
SMILESCC(=O)Nc1cc(S(C)=O)ccc1-c1ncccc1-c1ccc(F)cc1
InChIInChI=1S/C20H17FN2O2S/c1-13(24)23-19-12-16(26(2)25)9-10-18(19)20-17(4-3-11-22-20)14-5-7-15(21)8-6-14/h3-12H,1-2H3,(H,23,24)
InChIKeyKWINZBASZNPFQX-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.25
Rot. Bonds4

About N-[2-[3-(4-fluorophenyl)-2-pyridinyl]-5-methylsulfinylphenyl]acetamide

N-[2-[3-(4-fluorophenyl)-2-pyridinyl]-5-methylsulfinylphenyl]acetamide (PubChem CID 57013438) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-2-pyridinyl]-5-methylsulfinylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)-2-pyridinyl]-5-methylsulfinylphenyl]acetamide
PubChem CID57013438
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC NameN-[2-[3-(4-fluorophenyl)-2-pyridinyl]-5-methylsulfinylphenyl]acetamide
SMILESCC(=O)Nc1cc(S(C)=O)ccc1-c1ncccc1-c1ccc(F)cc1
InChIInChI=1S/C20H17FN2O2S/c1-13(24)23-19-12-16(26(2)25)9-10-18(19)20-17(4-3-11-22-20)14-5-7-15(21)8-6-14/h3-12H,1-2H3,(H,23,24)
InChIKeyKWINZBASZNPFQX-UHFFFAOYSA-N
XLogP4.25
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methylsulfinyl-2-pyridin-2-ylphenyl)acetamide
CID 57114620
2-(3-fluorophenyl)-3-(4-methylsulfinylphenyl)pyridine
CID 57228575
2-(4-chlorophenyl)-3-(4-methylsulfinylphenyl)pyridine
CID 57076120
N-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide
CID 53239062
2-chloro-N-[2-(4-fluorophenyl)phenyl]pyridine-3-carboxamide
CID 15390136
N-[5-[3-[2-(3-acetamido-4-methylphenyl)pyridine-3-carbonyl]-2-pyridinyl]-2-methylphenyl]acetamide
CID 67746022
N-[5-[4-[[3-(4-fluorophenyl)-2-pyridinyl]amino]phenyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 135347435
N-[2-ethyl-4-(2-methoxy-3-pyridinyl)phenyl]acetamide
CID 56701560
ethane;1-fluoro-4-methylsulfinylbenzene
CID 144882301
N-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide
CID 53238836
N-[4-[3-(4-acetamido-3-fluorophenyl)-2-hydroxyphenyl]-2-fluorophenyl]acetamide
CID 166166783
(5-fluoro-2-methylphenyl)-[4-(3-methylsulfinylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 143384660

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)-2-pyridinyl]-5-methylsulfinylphenyl]acetamide?
The IUPAC name of N-[2-[3-(4-fluorophenyl)-2-pyridinyl]-5-methylsulfinylphenyl]acetamide (CID 57013438) is N-[2-[3-(4-fluorophenyl)-2-pyridinyl]-5-methylsulfinylphenyl]acetamide.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-2-pyridinyl]-5-methylsulfinylphenyl]acetamide?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)-2-pyridinyl]-5-methylsulfinylphenyl]acetamide is CC(=O)Nc1cc(S(C)=O)ccc1-c1ncccc1-c1ccc(F)cc1.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)-2-pyridinyl]-5-methylsulfinylphenyl]acetamide?
The InChIKey is KWINZBASZNPFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c1-13(24)23-19-12-16(26(2)25)9-10-18(19)20-17(4-3-11-22-20)14-5-7-15(21)8-6-14/h3-12H,1-2H3,(H,23,24).
What are the key properties of N-[2-[3-(4-fluorophenyl)-2-pyridinyl]-5-methylsulfinylphenyl]acetamide?
N-[2-[3-(4-fluorophenyl)-2-pyridinyl]-5-methylsulfinylphenyl]acetamide has a molecular weight of 368.43 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)-2-pyridinyl]-5-methylsulfinylphenyl]acetamide is sourced from PubChem (CID 57013438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).