3-[(S)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(4-fluorophenyl)propanamide

C18H18FNO2S — CID 96562858

IUPAC3-[(S)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(4-fluorophenyl)propanamide
SMILESO=C(CC[S@](=O)C1Cc2ccccc2C1)Nc1ccc(F)cc1
InChIInChI=1S/C18H18FNO2S/c19-15-5-7-16(8-6-15)20-18(21)9-10-23(22)17-11-13-3-1-2-4-14(13)12-17/h1-8,17H,9-12H2,(H,20,21)/t23-/m0/s1
InChIKeyIHCBCFNERJFJDO-QHCPKHFHSA-N
MW331.41 g/mol
LogP3.07
Rot. Bonds5

About 3-[(S)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(4-fluorophenyl)propanamide

3-[(S)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(4-fluorophenyl)propanamide (PubChem CID 96562858) has the molecular formula C18H18FNO2S and a molecular weight of 331.41 g/mol. Its IUPAC name is 3-[(S)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[(S)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(4-fluorophenyl)propanamide
PubChem CID96562858
Molecular FormulaC18H18FNO2S
Molecular Weight331.41 g/mol
Exact Mass331.10
IUPAC Name3-[(S)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(4-fluorophenyl)propanamide
SMILESO=C(CC[S@](=O)C1Cc2ccccc2C1)Nc1ccc(F)cc1
InChIInChI=1S/C18H18FNO2S/c19-15-5-7-16(8-6-15)20-18(21)9-10-23(22)17-11-13-3-1-2-4-14(13)12-17/h1-8,17H,9-12H2,(H,20,21)/t23-/m0/s1
InChIKeyIHCBCFNERJFJDO-QHCPKHFHSA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(3-fluorophenyl)propanamide
CID 99774697
N-(4-fluorophenyl)-3-[(S)-(2-methylphenyl)methylsulfinyl]propanamide
CID 94795976
N-(4-fluorophenyl)-3-hydroxypropanamide
CID 12748696
2-(2,3-dihydro-1-benzofuran-2-yl)-N-(4-fluorophenyl)acetamide
CID 146150593
N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 46467442
N-(4-fluorophenyl)-3-[(S)-(4-methylphenyl)methylsulfinyl]propanamide
CID 94795972
2-(2,3-dihydro-1H-inden-2-ylsulfinyl)-N-ethylacetamide
CID 59790440
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetamide
CID 3220568
3-[(4-tert-butylphenyl)methylsulfinyl]-N-(4-fluorophenyl)propanamide
CID 47087807
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-fluorophenyl)propanamide
CID 110342779

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-[(S)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(4-fluorophenyl)propanamide (CID 96562858) is 3-[(S)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-[(S)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-[(S)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(4-fluorophenyl)propanamide is O=C(CC[S@](=O)C1Cc2ccccc2C1)Nc1ccc(F)cc1.
What is the InChIKey of 3-[(S)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(4-fluorophenyl)propanamide?
The InChIKey is IHCBCFNERJFJDO-QHCPKHFHSA-N. The full InChI is InChI=1S/C18H18FNO2S/c19-15-5-7-16(8-6-15)20-18(21)9-10-23(22)17-11-13-3-1-2-4-14(13)12-17/h1-8,17H,9-12H2,(H,20,21)/t23-/m0/s1.
What are the key properties of 3-[(S)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(4-fluorophenyl)propanamide?
3-[(S)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(4-fluorophenyl)propanamide has a molecular weight of 331.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 96562858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).