N-(pyridin-2-ylmethyl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide

C18H20N2OS — CID 95327311

IUPACN-(pyridin-2-ylmethyl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide
SMILESO=C(CS[C@H]1CCCc2ccccc21)NCc1ccccn1
InChIInChI=1S/C18H20N2OS/c21-18(20-12-15-8-3-4-11-19-15)13-22-17-10-5-7-14-6-1-2-9-16(14)17/h1-4,6,8-9,11,17H,5,7,10,12-13H2,(H,20,21)/t17-/m0/s1
InChIKeyYUJYDMGVKDQSIP-KRWDZBQOSA-N
MW312.44 g/mol
LogP3.51
Rot. Bonds5

About N-(pyridin-2-ylmethyl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide

N-(pyridin-2-ylmethyl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide (PubChem CID 95327311) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide
PubChem CID95327311
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC NameN-(pyridin-2-ylmethyl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide
SMILESO=C(CS[C@H]1CCCc2ccccc21)NCc1ccccn1
InChIInChI=1S/C18H20N2OS/c21-18(20-12-15-8-3-4-11-19-15)13-22-17-10-5-7-14-6-1-2-9-16(14)17/h1-4,6,8-9,11,17H,5,7,10,12-13H2,(H,20,21)/t17-/m0/s1
InChIKeyYUJYDMGVKDQSIP-KRWDZBQOSA-N
XLogP3.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
CID 42537246
1-cyclopropyl-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 126789644
1-(2-hydroxyethyl)-3-(pyridin-2-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111793383
2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 95329588
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide
CID 124880739
N-(oxan-4-yl)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl)acetamide
CID 71981072
2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 19005858
2-(1-methylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851953
(2S)-N-pyrimidin-2-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanamide
CID 95316704
2-[2-(4-bromophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 53012695
2-[(1R)-2-(4-bromophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 93076296
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30730233

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide (CID 95327311) is N-(pyridin-2-ylmethyl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide is O=C(CS[C@H]1CCCc2ccccc21)NCc1ccccn1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide?
The InChIKey is YUJYDMGVKDQSIP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2OS/c21-18(20-12-15-8-3-4-11-19-15)13-22-17-10-5-7-14-6-1-2-9-16(14)17/h1-4,6,8-9,11,17H,5,7,10,12-13H2,(H,20,21)/t17-/m0/s1.
What are the key properties of N-(pyridin-2-ylmethyl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide?
N-(pyridin-2-ylmethyl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide has a molecular weight of 312.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide is sourced from PubChem (CID 95327311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).