2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide

C16H15N3OS2 — CID 6460595

IUPAC2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
SMILESN#Cc1c(SCC(N)=O)nc(-c2cccs2)c2c1CCCC2
InChIInChI=1S/C16H15N3OS2/c17-8-12-10-4-1-2-5-11(10)15(13-6-3-7-21-13)19-16(12)22-9-14(18)20/h3,6-7H,1-2,4-5,9H2,(H2,18,20)
InChIKeyOHQWNPKPMIHCQF-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.14
Rot. Bonds4

About 2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide

2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide (PubChem CID 6460595) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
PubChem CID6460595
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC Name2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
SMILESN#Cc1c(SCC(N)=O)nc(-c2cccs2)c2c1CCCC2
InChIInChI=1S/C16H15N3OS2/c17-8-12-10-4-1-2-5-11(10)15(13-6-3-7-21-13)19-16(12)22-9-14(18)20/h3,6-7H,1-2,4-5,9H2,(H2,18,20)
InChIKeyOHQWNPKPMIHCQF-UHFFFAOYSA-N
XLogP3.14
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 3333728
3-[(3,4-dichlorophenyl)methylsulfanyl]-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 3288894
3-[(2,4-dichlorophenyl)methylsulfanyl]-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 3922873
2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-hydroxyphenyl)acetamide
CID 25065638
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 2268945
2-[(3-cyano-6-naphthalen-2-yl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetamide
CID 1010503
2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1041832
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile;ethanol
CID 12005523
2-[[3-cyano-4-(4-fluorophenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 6984680
methyl 2-[[3-cyano-4-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridin-2-yl]sulfanyl]acetate
CID 2906292
2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-ethynylphenyl)acetamide
CID 2746707
2-[(4-fluorophenyl)methylsulfanyl]-4-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 1070004

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide (CID 6460595) is 2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide is N#Cc1c(SCC(N)=O)nc(-c2cccs2)c2c1CCCC2.
What is the InChIKey of 2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide?
The InChIKey is OHQWNPKPMIHCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c17-8-12-10-4-1-2-5-11(10)15(13-6-3-7-21-13)19-16(12)22-9-14(18)20/h3,6-7H,1-2,4-5,9H2,(H2,18,20).
What are the key properties of 2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide?
2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide has a molecular weight of 329.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 6460595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).