2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetamide

C17H17NOS — CID 3055391

IUPAC2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetamide
SMILESCC(SCC(N)=O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H17NOS/c1-11(20-10-17(18)19)12-6-7-16-14(8-12)9-13-4-2-3-5-15(13)16/h2-8,11H,9-10H2,1H3,(H2,18,19)
InChIKeyLJONPVWRZOUNAK-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.54
Rot. Bonds4

About 2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetamide

2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetamide (PubChem CID 3055391) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetamide.

Molecular Properties

Compound Name2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetamide
PubChem CID3055391
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetamide
SMILESCC(SCC(N)=O)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H17NOS/c1-11(20-10-17(18)19)12-6-7-16-14(8-12)9-13-4-2-3-5-15(13)16/h2-8,11H,9-10H2,1H3,(H2,18,19)
InChIKeyLJONPVWRZOUNAK-UHFFFAOYSA-N
XLogP3.54
TPSA43.09 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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetamide?
The IUPAC name of 2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetamide (CID 3055391) is 2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetamide.
What is the SMILES notation for 2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetamide?
The canonical SMILES for 2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetamide is CC(SCC(N)=O)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetamide?
The InChIKey is LJONPVWRZOUNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-11(20-10-17(18)19)12-6-7-16-14(8-12)9-13-4-2-3-5-15(13)16/h2-8,11H,9-10H2,1H3,(H2,18,19).
What are the key properties of 2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetamide?
2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetamide has a molecular weight of 283.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(9H-fluoren-2-yl)ethylsulfanyl]acetamide is sourced from PubChem (CID 3055391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).