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

C21H26N2OS — CID 52501297

IUPACN-[(S)-cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccnc1)N[C@H](c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H26N2OS/c24-20(16-25-15-17-8-7-13-22-14-17)23-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19,21H,2,5-6,11-12,15-16H2,(H,23,24)/t21-/m1/s1
InChIKeyBSVIVPHFKKTSFW-OAQYLSRUSA-N
MW354.52 g/mol
LogP4.75
Rot. Bonds7

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

N-[(S)-cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (PubChem CID 52501297) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is N-[(S)-cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(S)-cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
PubChem CID52501297
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC NameN-[(S)-cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccnc1)N[C@H](c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H26N2OS/c24-20(16-25-15-17-8-7-13-22-14-17)23-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19,21H,2,5-6,11-12,15-16H2,(H,23,24)/t21-/m1/s1
InChIKeyBSVIVPHFKKTSFW-OAQYLSRUSA-N
XLogP4.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 47031415
2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide
CID 100699932
2-benzylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide
CID 91629752
1-[(S)-cyclopentyl(phenyl)methyl]-3-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]urea
CID 97237571
2-[2-[[(R)-cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 39594509
N-[cyclobutyl(phenyl)methyl]-1-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 71870730
N-[cyclohexyl(phenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755482
N-[(2S)-2-cyclopentyl-2-phenylethyl]-2-pyridin-3-ylacetamide
CID 95213041
3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
CID 14208386
N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
CID 94493852
1-cyclohexyl-1-hydroxy-3-pyridin-3-ylpropan-2-one
CID 103457420
N-[(1S,2R)-2-methylcyclopropyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 95702546

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[(S)-cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (CID 52501297) is N-[(S)-cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[(S)-cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[(S)-cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is O=C(CSCc1cccnc1)N[C@H](c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[(S)-cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The InChIKey is BSVIVPHFKKTSFW-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N2OS/c24-20(16-25-15-17-8-7-13-22-14-17)23-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19,21H,2,5-6,11-12,15-16H2,(H,23,24)/t21-/m1/s1.
What are the key properties of N-[(S)-cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
N-[(S)-cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide has a molecular weight of 354.52 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 52501297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).