2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide

C17H16ClNOS — CID 7761053

IUPAC2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESO=C(CSc1ccccc1Cl)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H16ClNOS/c18-15-6-1-2-7-16(15)21-11-17(20)19-14-9-8-12-4-3-5-13(12)10-14/h1-2,6-10H,3-5,11H2,(H,19,20)
InChIKeyYPFIRJFQBOGDCO-UHFFFAOYSA-N
MW317.84 g/mol
LogP4.56
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide

2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 7761053) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID7761053
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESO=C(CSc1ccccc1Cl)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H16ClNOS/c18-15-6-1-2-7-16(15)21-11-17(20)19-14-9-8-12-4-3-5-13(12)10-14/h1-2,6-10H,3-5,11H2,(H,19,20)
InChIKeyYPFIRJFQBOGDCO-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 7466905
1-(2-chlorophenyl)sulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 66142351
2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 3380579
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 61031459
N-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498956
2-(benzhydrylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 7516034
2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 18085963
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide
CID 26644664
N-(2,3-dihydro-1H-inden-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 38651828
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2570567
N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 2652585

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide (CID 7761053) is 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide is O=C(CSc1ccccc1Cl)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is YPFIRJFQBOGDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNOS/c18-15-6-1-2-7-16(15)21-11-17(20)19-14-9-8-12-4-3-5-13(12)10-14/h1-2,6-10H,3-5,11H2,(H,19,20).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 317.84 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 7761053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).