2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide

C19H18N2OS — CID 8967856

IUPAC2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESN#Cc1ccccc1CSCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H18N2OS/c20-11-16-4-1-2-5-17(16)12-23-13-19(22)21-18-9-8-14-6-3-7-15(14)10-18/h1-2,4-5,8-10H,3,6-7,12-13H2,(H,21,22)
InChIKeyUODNYWHUXLRUJU-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.92
Rot. Bonds5

About 2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide

2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 8967856) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound Name2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID8967856
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESN#Cc1ccccc1CSCC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H18N2OS/c20-11-16-4-1-2-5-17(16)12-23-13-19(22)21-18-9-8-14-6-3-7-15(14)10-18/h1-2,4-5,8-10H,3,6-7,12-13H2,(H,21,22)
InChIKeyUODNYWHUXLRUJU-UHFFFAOYSA-N
XLogP3.92
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyanophenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide
CID 8967300
N-(4-bromo-3-methylphenyl)-2-[(2-cyanophenyl)methylsulfanyl]acetamide
CID 8967245
methyl 4-[[2-[(2-cyanophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 8967384
2-[(2-cyanophenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8967393
N-(2,3-dihydro-1H-inden-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8570201
2-[(2-cyanophenyl)methylsulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 8967517
2-[(2-cyanophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 8967401
2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 8967350
N-benzyl-2-[(2-cyanophenyl)methylsulfanyl]acetamide
CID 8967089
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 7761053
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-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705933

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of 2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide (CID 8967856) is 2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for 2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for 2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide is N#Cc1ccccc1CSCC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is UODNYWHUXLRUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c20-11-16-4-1-2-5-17(16)12-23-13-19(22)21-18-9-8-14-6-3-7-15(14)10-18/h1-2,4-5,8-10H,3,6-7,12-13H2,(H,21,22).
What are the key properties of 2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 322.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 8967856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).