2-[(4-chlorophenyl)methylsulfonyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide

C18H18ClNO3S — CID 17225278

IUPAC2-[(4-chlorophenyl)methylsulfonyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESO=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H18ClNO3S/c19-16-7-4-13(5-8-16)11-24(22,23)12-18(21)20-17-9-6-14-2-1-3-15(14)10-17/h4-10H,1-3,11-12H2,(H,20,21)
InChIKeyJYJMEYOVBPFDTO-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.38
Rot. Bonds5

About 2-[(4-chlorophenyl)methylsulfonyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide

2-[(4-chlorophenyl)methylsulfonyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 17225278) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID17225278
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Name2-[(4-chlorophenyl)methylsulfonyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESO=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H18ClNO3S/c19-16-7-4-13(5-8-16)11-24(22,23)12-18(21)20-17-9-6-14-2-1-3-15(14)10-17/h4-10H,1-3,11-12H2,(H,20,21)
InChIKeyJYJMEYOVBPFDTO-UHFFFAOYSA-N
XLogP3.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2634509
methyl 4-[[2-[(4-chlorophenyl)methylsulfonyl]acetyl]amino]benzoate
CID 17225120
N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanamide
CID 55946746
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 115166897
N-(3,4-difluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 43024786
N-(3,4-dichlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18270009
N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide
CID 47160249
2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 3380579
2-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethylphenyl)acetamide
CID 17225150
N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide
CID 17225191

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide (CID 17225278) is 2-[(4-chlorophenyl)methylsulfonyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide is O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is JYJMEYOVBPFDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c19-16-7-4-13(5-8-16)11-24(22,23)12-18(21)20-17-9-6-14-2-1-3-15(14)10-17/h4-10H,1-3,11-12H2,(H,20,21).
What are the key properties of 2-[(4-chlorophenyl)methylsulfonyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
2-[(4-chlorophenyl)methylsulfonyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 363.87 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 17225278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).