2-(4-fluorophenyl)sulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide

C19H20FNO2S — CID 91631299

IUPAC2-(4-fluorophenyl)sulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide
SMILESCOC1(CNC(=O)CSc2ccc(F)cc2)Cc2ccccc2C1
InChIInChI=1S/C19H20FNO2S/c1-23-19(10-14-4-2-3-5-15(14)11-19)13-21-18(22)12-24-17-8-6-16(20)7-9-17/h2-9H,10-13H2,1H3,(H,21,22)
InChIKeyOGZRFAYOIYNNHO-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.22
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide (PubChem CID 91631299) has the molecular formula C19H20FNO2S and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide
PubChem CID91631299
Molecular FormulaC19H20FNO2S
Molecular Weight345.44 g/mol
Exact Mass345.12
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide
SMILESCOC1(CNC(=O)CSc2ccc(F)cc2)Cc2ccccc2C1
InChIInChI=1S/C19H20FNO2S/c1-23-19(10-14-4-2-3-5-15(14)11-19)13-21-18(22)12-24-17-8-6-16(20)7-9-17/h2-9H,10-13H2,1H3,(H,21,22)
InChIKeyOGZRFAYOIYNNHO-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide (CID 91631299) is 2-(4-fluorophenyl)sulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide is COC1(CNC(=O)CSc2ccc(F)cc2)Cc2ccccc2C1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide?
The InChIKey is OGZRFAYOIYNNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2S/c1-23-19(10-14-4-2-3-5-15(14)11-19)13-21-18(22)12-24-17-8-6-16(20)7-9-17/h2-9H,10-13H2,1H3,(H,21,22).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide is sourced from PubChem (CID 91631299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).