2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(methylcarbamoyl)acetamide

C13H16N2O2S — CID 8800446

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C13H16N2O2S/c1-14-13(17)15-12(16)8-18-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4,8H2,1H3,(H2,14,15,16,17)
InChIKeyNVUBCFYTGJUKTR-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.72
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(methylcarbamoyl)acetamide

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(methylcarbamoyl)acetamide (PubChem CID 8800446) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(methylcarbamoyl)acetamide
PubChem CID8800446
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C13H16N2O2S/c1-14-13(17)15-12(16)8-18-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4,8H2,1H3,(H2,14,15,16,17)
InChIKeyNVUBCFYTGJUKTR-UHFFFAOYSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(methylcarbamoyl)acetamide (CID 8800446) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CSc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(methylcarbamoyl)acetamide?
The InChIKey is NVUBCFYTGJUKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-14-13(17)15-12(16)8-18-11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4,8H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(methylcarbamoyl)acetamide?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(methylcarbamoyl)acetamide has a molecular weight of 264.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 8800446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).