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

C21H25NOS — CID 25362095

IUPAC2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1ccc(C)c(CSCC(=O)N[C@H]2CCCc3ccccc32)c1
InChIInChI=1S/C21H25NOS/c1-15-10-11-16(2)18(12-15)13-24-14-21(23)22-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,10-12,20H,5,7,9,13-14H2,1-2H3,(H,22,23)/t20-/m0/s1
InChIKeyJOSYTUKGCVFZOQ-FQEVSTJZSA-N
MW339.50 g/mol
LogP4.73
Rot. Bonds5

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

2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 25362095) has the molecular formula C21H25NOS and a molecular weight of 339.50 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID25362095
Molecular FormulaC21H25NOS
Molecular Weight339.50 g/mol
Exact Mass339.17
IUPAC Name2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1ccc(C)c(CSCC(=O)N[C@H]2CCCc3ccccc32)c1
InChIInChI=1S/C21H25NOS/c1-15-10-11-16(2)18(12-15)13-24-14-21(23)22-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,10-12,20H,5,7,9,13-14H2,1-2H3,(H,22,23)/t20-/m0/s1
InChIKeyJOSYTUKGCVFZOQ-FQEVSTJZSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25362094
2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7973944
2-(2,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2709177
2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 31548705
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30389296
2,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7919785
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7352779
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46419630
2-phenylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2707705
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8805450
2-[methyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2543063

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 25362095) is 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is Cc1ccc(C)c(CSCC(=O)N[C@H]2CCCc3ccccc32)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is JOSYTUKGCVFZOQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25NOS/c1-15-10-11-16(2)18(12-15)13-24-14-21(23)22-20-9-5-7-17-6-3-4-8-19(17)20/h3-4,6,8,10-12,20H,5,7,9,13-14H2,1-2H3,(H,22,23)/t20-/m0/s1.
What are the key properties of 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 339.50 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 25362095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).