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

C18H18FNO2S — CID 71782152

IUPAC2-(4-fluorophenyl)sulfanyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCC1(O)CCc2ccccc21
InChIInChI=1S/C18H18FNO2S/c19-14-5-7-15(8-6-14)23-11-17(21)20-12-18(22)10-9-13-3-1-2-4-16(13)18/h1-8,22H,9-12H2,(H,20,21)
InChIKeyGOABYPRUFWQHPY-UHFFFAOYSA-N
MW331.41 g/mol
LogP2.87
Rot. Bonds5

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

2-(4-fluorophenyl)sulfanyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide (PubChem CID 71782152) has the molecular formula C18H18FNO2S and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide
PubChem CID71782152
Molecular FormulaC18H18FNO2S
Molecular Weight331.41 g/mol
Exact Mass331.10
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCC1(O)CCc2ccccc21
InChIInChI=1S/C18H18FNO2S/c19-14-5-7-15(8-6-14)23-11-17(21)20-12-18(22)10-9-13-3-1-2-4-16(13)18/h1-8,22H,9-12H2,(H,20,21)
InChIKeyGOABYPRUFWQHPY-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-([1,1'-biphenyl]-4-yl)-2-hydroxypropyl)-2-((4-fluorophenyl)thio)acetamide
CID 71781824
3-(phenylthio)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
CID 71781979
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-((4-fluorophenyl)thio)acetamide
CID 71788774
2-(cyclopentylthio)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 71806239
2-((4-fluorophenyl)thio)-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)acetamide
CID 91631299
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-3-(phenylthio)propanamide
CID 71782151
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-3-(phenylsulfonyl)propanamide
CID 71782165
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-3-(phenylthio)propanamide
CID 91631297
N-{[(S)-1-hydroxy-1-indanyl]methyl}1-(2-thienyl)cyclopentanecarboxamide
CID 95983130
N-[(R)-2-(4-biphenylyl)-2-hydroxypropyl](cyclopentylthio)acetamide
CID 97355082
N-{[(S)-1-hydroxy-1-indanyl]methyl}(cyclopentylthio)acetamide
CID 97355126
N-{[(S)-1-hydroxy-1-indanyl]methyl}(3-thienyl)acetamide
CID 99708335

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide (CID 71782152) is 2-(4-fluorophenyl)sulfanyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide is O=C(CSc1ccc(F)cc1)NCC1(O)CCc2ccccc21.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide?
The InChIKey is GOABYPRUFWQHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2S/c19-14-5-7-15(8-6-14)23-11-17(21)20-12-18(22)10-9-13-3-1-2-4-16(13)18/h1-8,22H,9-12H2,(H,20,21).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide has a molecular weight of 331.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]acetamide is sourced from PubChem (CID 71782152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).