2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide

C17H18N2O3S2 — CID 51121209

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CSc2ccc3c(c2)CCC3)cn1
InChIInChI=1S/C17H18N2O3S2/c1-24(21,22)17-8-6-14(10-18-17)19-16(20)11-23-15-7-5-12-3-2-4-13(12)9-15/h5-10H,2-4,11H2,1H3,(H,19,20)
InChIKeyCMULSEYWFYNGJE-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.70
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide (PubChem CID 51121209) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide
PubChem CID51121209
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CSc2ccc3c(c2)CCC3)cn1
InChIInChI=1S/C17H18N2O3S2/c1-24(21,22)17-8-6-14(10-18-17)19-16(20)11-23-15-7-5-12-3-2-4-13(12)9-15/h5-10H,2-4,11H2,1H3,(H,19,20)
InChIKeyCMULSEYWFYNGJE-UHFFFAOYSA-N
XLogP2.70
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide
CID 26644664
4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide
CID 51192768
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 34072393
2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 113427691
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 61031459
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-iodophenyl)acetamide
CID 18274914
N-(3,5-dichloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 8800613
2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 43696835
N-(2,3-dihydro-1H-inden-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 38651828
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 29371198
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 46420851
3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 47212321

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide (CID 51121209) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide is CS(=O)(=O)c1ccc(NC(=O)CSc2ccc3c(c2)CCC3)cn1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide?
The InChIKey is CMULSEYWFYNGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-24(21,22)17-8-6-14(10-18-17)19-16(20)11-23-15-7-5-12-3-2-4-13(12)9-15/h5-10H,2-4,11H2,1H3,(H,19,20).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide has a molecular weight of 362.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide is sourced from PubChem (CID 51121209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).