2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide

C20H24N2OS — CID 36542331

IUPAC2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
SMILESO=C(CC1CCCCC1)Nc1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C20H24N2OS/c23-20(13-16-5-2-1-3-6-16)22-18-8-10-19(11-9-18)24-15-17-7-4-12-21-14-17/h4,7-12,14,16H,1-3,5-6,13,15H2,(H,22,23)
InChIKeyGNVCIRIHMHWKDR-UHFFFAOYSA-N
MW340.49 g/mol
LogP5.28
Rot. Bonds6

About 2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide

2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide (PubChem CID 36542331) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
PubChem CID36542331
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
SMILESO=C(CC1CCCCC1)Nc1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C20H24N2OS/c23-20(13-16-5-2-1-3-6-16)22-18-8-10-19(11-9-18)24-15-17-7-4-12-21-14-17/h4,7-12,14,16H,1-3,5-6,13,15H2,(H,22,23)
InChIKeyGNVCIRIHMHWKDR-UHFFFAOYSA-N
XLogP5.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.49
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 36542434
4-chloro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 63309430
N-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925756
1,1-dioxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]thiolane-3-carboxamide
CID 55468735
2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 60572265
2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethylsulfanyl)anilino]ethyl]acetamide
CID 34425861
3-piperidin-3-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide;dihydrochloride
CID 119838685
2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 34425182
2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634
1-(benzenesulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-2-carboxamide
CID 55468628
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 34425101
(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 78973407

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide (CID 36542331) is 2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide is O=C(CC1CCCCC1)Nc1ccc(SCc2cccnc2)cc1.
What is the InChIKey of 2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The InChIKey is GNVCIRIHMHWKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c23-20(13-16-5-2-1-3-6-16)22-18-8-10-19(11-9-18)24-15-17-7-4-12-21-14-17/h4,7-12,14,16H,1-3,5-6,13,15H2,(H,22,23).
What are the key properties of 2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide has a molecular weight of 340.49 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 36542331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).