N-[4-(4-fluorophenyl)sulfinylcyclohexyl]-2-pyridin-4-ylacetamide

C19H21FN2O2S — CID 144881987

IUPACN-[4-(4-fluorophenyl)sulfinylcyclohexyl]-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccncc1)NC1CCC(S(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2O2S/c20-15-1-5-17(6-2-15)25(24)18-7-3-16(4-8-18)22-19(23)13-14-9-11-21-12-10-14/h1-2,5-6,9-12,16,18H,3-4,7-8,13H2,(H,22,23)
InChIKeyLPPABMRIOHWUGT-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.00
Rot. Bonds5

About N-[4-(4-fluorophenyl)sulfinylcyclohexyl]-2-pyridin-4-ylacetamide

N-[4-(4-fluorophenyl)sulfinylcyclohexyl]-2-pyridin-4-ylacetamide (PubChem CID 144881987) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)sulfinylcyclohexyl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)sulfinylcyclohexyl]-2-pyridin-4-ylacetamide
PubChem CID144881987
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC NameN-[4-(4-fluorophenyl)sulfinylcyclohexyl]-2-pyridin-4-ylacetamide
SMILESO=C(Cc1ccncc1)NC1CCC(S(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2O2S/c20-15-1-5-17(6-2-15)25(24)18-7-3-16(4-8-18)22-19(23)13-14-9-11-21-12-10-14/h1-2,5-6,9-12,16,18H,3-4,7-8,13H2,(H,22,23)
InChIKeyLPPABMRIOHWUGT-UHFFFAOYSA-N
XLogP3.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxycyclohexyl)-2-pyridin-4-ylacetamide
CID 43508886
2-cyano-N-[3-(4-fluorophenyl)sulfinylcyclopentyl]acetamide
CID 144882085
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
4-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]sulfinylpyridine;dihydrochloride
CID 141037032
1-(4-fluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551750
N-(3-aminocyclobutyl)-2-pyridin-4-ylacetamide
CID 43594929
N-(1-aminopiperidin-4-yl)-2-(4-fluorophenyl)acetamide
CID 143745573
N-[4,4-di(propan-2-yl)cyclohexyl]-2-pyridin-4-ylacetamide
CID 130233470
N-cyclopropyl-2-phenylacetamide
CID 5175687
4-[[3-(4-fluorophenyl)sulfinylpyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 134373981
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-fluorophenyl)acetamide
CID 21132354
N-cyclopropyl-2-[4-(2-pyridin-4-ylethylcarbamoylamino)phenyl]acetamide
CID 72895769

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)sulfinylcyclohexyl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[4-(4-fluorophenyl)sulfinylcyclohexyl]-2-pyridin-4-ylacetamide (CID 144881987) is N-[4-(4-fluorophenyl)sulfinylcyclohexyl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)sulfinylcyclohexyl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)sulfinylcyclohexyl]-2-pyridin-4-ylacetamide is O=C(Cc1ccncc1)NC1CCC(S(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[4-(4-fluorophenyl)sulfinylcyclohexyl]-2-pyridin-4-ylacetamide?
The InChIKey is LPPABMRIOHWUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c20-15-1-5-17(6-2-15)25(24)18-7-3-16(4-8-18)22-19(23)13-14-9-11-21-12-10-14/h1-2,5-6,9-12,16,18H,3-4,7-8,13H2,(H,22,23).
What are the key properties of N-[4-(4-fluorophenyl)sulfinylcyclohexyl]-2-pyridin-4-ylacetamide?
N-[4-(4-fluorophenyl)sulfinylcyclohexyl]-2-pyridin-4-ylacetamide has a molecular weight of 360.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)sulfinylcyclohexyl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 144881987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).