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

C17H18ClNOS2 — CID 46419630

IUPAC2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CSCc1ccc(Cl)s1)NC1CCCc2ccccc21
InChIInChI=1S/C17H18ClNOS2/c18-16-9-8-13(22-16)10-21-11-17(20)19-15-7-3-5-12-4-1-2-6-14(12)15/h1-2,4,6,8-9,15H,3,5,7,10-11H2,(H,19,20)
InChIKeyXBPGOPSAWHFBGE-UHFFFAOYSA-N
MW351.92 g/mol
LogP4.83
Rot. Bonds5

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

2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 46419630) has the molecular formula C17H18ClNOS2 and a molecular weight of 351.92 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID46419630
Molecular FormulaC17H18ClNOS2
Molecular Weight351.92 g/mol
Exact Mass351.05
IUPAC Name2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CSCc1ccc(Cl)s1)NC1CCCc2ccccc21
InChIInChI=1S/C17H18ClNOS2/c18-16-9-8-13(22-16)10-21-11-17(20)19-15-7-3-5-12-4-1-2-6-14(12)15/h1-2,4,6,8-9,15H,3,5,7,10-11H2,(H,19,20)
InChIKeyXBPGOPSAWHFBGE-UHFFFAOYSA-N
XLogP4.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.92
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30389296
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9262225
(5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9295679
2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 31548705
2-(2,6-dichlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2543502
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 6596911
2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25362094
2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25362095
2-phenylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2707705
2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92700980
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103860458
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11918851

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 46419630) is 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(CSCc1ccc(Cl)s1)NC1CCCc2ccccc21.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is XBPGOPSAWHFBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS2/c18-16-9-8-13(22-16)10-21-11-17(20)19-15-7-3-5-12-4-1-2-6-14(12)15/h1-2,4,6,8-9,15H,3,5,7,10-11H2,(H,19,20).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 351.92 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 46419630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).