N-(2,3-dihydro-1H-inden-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide

C16H17NOS2 — CID 8570201

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccs1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H17NOS2/c18-16(11-19-10-15-5-2-8-20-15)17-14-7-6-12-3-1-4-13(12)9-14/h2,5-9H,1,3-4,10-11H2,(H,17,18)
InChIKeyOBNWSMATIUUPFE-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.11
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide (PubChem CID 8570201) has the molecular formula C16H17NOS2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
PubChem CID8570201
Molecular FormulaC16H17NOS2
Molecular Weight303.45 g/mol
Exact Mass303.08
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccs1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H17NOS2/c18-16(11-19-10-15-5-2-8-20-15)17-14-7-6-12-3-1-4-13(12)9-14/h2,5-9H,1,3-4,10-11H2,(H,17,18)
InChIKeyOBNWSMATIUUPFE-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide
CID 25431782
N-(3-bromo-4-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 4612401
2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8967856
methyl 4-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzoate
CID 4256520
N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8574061
N-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 39905915
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 30837668
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
2-(2,6-dichlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 7466905
N-(2,3-dihydro-1H-inden-5-yl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
CID 46925612
N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 52513231
[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 8948302

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide (CID 8570201) is N-(2,3-dihydro-1H-inden-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide is O=C(CSCc1cccs1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The InChIKey is OBNWSMATIUUPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS2/c18-16(11-19-10-15-5-2-8-20-15)17-14-7-6-12-3-1-4-13(12)9-14/h2,5-9H,1,3-4,10-11H2,(H,17,18).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide has a molecular weight of 303.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 8570201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).