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

C17H17NOS — CID 26644664

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide
SMILESO=C(CSc1ccc2c(c1)CCC2)Nc1ccccc1
InChIInChI=1S/C17H17NOS/c19-17(18-15-7-2-1-3-8-15)12-20-16-10-9-13-5-4-6-14(13)11-16/h1-3,7-11H,4-6,12H2,(H,18,19)
InChIKeyRMQRSHJLOJHIGA-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.91
Rot. Bonds4

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

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide (PubChem CID 26644664) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide
PubChem CID26644664
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide
SMILESO=C(CSc1ccc2c(c1)CCC2)Nc1ccccc1
InChIInChI=1S/C17H17NOS/c19-17(18-15-7-2-1-3-8-15)12-20-16-10-9-13-5-4-6-14(13)11-16/h1-3,7-11H,4-6,12H2,(H,18,19)
InChIKeyRMQRSHJLOJHIGA-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-iodophenyl)acetamide
CID 18274914
N-[3-(benzylsulfinylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 86961423
4-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-N-methylbenzamide
CID 51192768
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 55548513
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 61031459
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 29371198
2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid
CID 43357695
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 51121209
2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]butanoic acid
CID 43388183
1-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81164289
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62517898

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide (CID 26644664) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide is O=C(CSc1ccc2c(c1)CCC2)Nc1ccccc1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide?
The InChIKey is RMQRSHJLOJHIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c19-17(18-15-7-2-1-3-8-15)12-20-16-10-9-13-5-4-6-14(13)11-16/h1-3,7-11H,4-6,12H2,(H,18,19).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide has a molecular weight of 283.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide is sourced from PubChem (CID 26644664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).