2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C18H23N3OS — CID 95329588

IUPAC2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CS[C@H]1CCCc2ccccc21
InChIInChI=1S/C18H23N3OS/c1-12-18(13(2)21(3)20-12)19-17(22)11-23-16-10-6-8-14-7-4-5-9-15(14)16/h4-5,7,9,16H,6,8,10-11H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeyWUCPTBSLTLQBML-INIZCTEOSA-N
MW329.47 g/mol
LogP3.79
Rot. Bonds4

About 2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 95329588) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID95329588
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CS[C@H]1CCCc2ccccc21
InChIInChI=1S/C18H23N3OS/c1-12-18(13(2)21(3)20-12)19-17(22)11-23-16-10-6-8-14-7-4-5-9-15(14)16/h4-5,7,9,16H,6,8,10-11H2,1-3H3,(H,19,22)/t16-/m0/s1
InChIKeyWUCPTBSLTLQBML-INIZCTEOSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-4-yl)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl)acetamide
CID 71981072
N-(pyridin-2-ylmethyl)-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide
CID 95327311
1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 45148404
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260457
1,3,5-trimethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-4-amine
CID 43204439
3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110473196
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetamide
CID 124880739
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95616896
2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 95312814
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
CID 119688876

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 95329588) is 2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CS[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is WUCPTBSLTLQBML-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-12-18(13(2)21(3)20-12)19-17(22)11-23-16-10-6-8-14-7-4-5-9-15(14)16/h4-5,7,9,16H,6,8,10-11H2,1-3H3,(H,19,22)/t16-/m0/s1.
What are the key properties of 2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 329.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 95329588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).