4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide

C19H20N2O2S — CID 51192768

IUPAC4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CSc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H20N2O2S/c1-20-19(23)14-5-8-16(9-6-14)21-18(22)12-24-17-10-7-13-3-2-4-15(13)11-17/h5-11H,2-4,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyGZSLQBUBYYNXJW-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.27
Rot. Bonds5

About 4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide

4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide (PubChem CID 51192768) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide
PubChem CID51192768
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CSc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H20N2O2S/c1-20-19(23)14-5-8-16(9-6-14)21-18(22)12-24-17-10-7-13-3-2-4-15(13)11-17/h5-11H,2-4,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyGZSLQBUBYYNXJW-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide
CID 26644664
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
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 51121209
methyl 4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-methylbenzoate
CID 35250339
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 46420851
N-[3-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55720223
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
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 34072393
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103933570
N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 60652410

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide (CID 51192768) is 4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CSc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide?
The InChIKey is GZSLQBUBYYNXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-20-19(23)14-5-8-16(9-6-14)21-18(22)12-24-17-10-7-13-3-2-4-15(13)11-17/h5-11H,2-4,12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide?
4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide has a molecular weight of 340.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 51192768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).