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

C18H18FNO2S — CID 99774697

IUPAC3-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(3-fluorophenyl)propanamide
SMILESO=C(CC[S@@](=O)C1Cc2ccccc2C1)Nc1cccc(F)c1
InChIInChI=1S/C18H18FNO2S/c19-15-6-3-7-16(12-15)20-18(21)8-9-23(22)17-10-13-4-1-2-5-14(13)11-17/h1-7,12,17H,8-11H2,(H,20,21)/t23-/m1/s1
InChIKeyWRBXBPKPEIOSQD-HSZRJFAPSA-N
MW331.41 g/mol
LogP3.07
Rot. Bonds5

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

3-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(3-fluorophenyl)propanamide (PubChem CID 99774697) has the molecular formula C18H18FNO2S and a molecular weight of 331.41 g/mol. Its IUPAC name is 3-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(3-fluorophenyl)propanamide
PubChem CID99774697
Molecular FormulaC18H18FNO2S
Molecular Weight331.41 g/mol
Exact Mass331.10
IUPAC Name3-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(3-fluorophenyl)propanamide
SMILESO=C(CC[S@@](=O)C1Cc2ccccc2C1)Nc1cccc(F)c1
InChIInChI=1S/C18H18FNO2S/c19-15-6-3-7-16(12-15)20-18(21)8-9-23(22)17-10-13-4-1-2-5-14(13)11-17/h1-7,12,17H,8-11H2,(H,20,21)/t23-/m1/s1
InChIKeyWRBXBPKPEIOSQD-HSZRJFAPSA-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-[(S)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(4-fluorophenyl)propanamide
CID 96562858
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 740647
3-[[3-(3-fluoroanilino)-3-oxopropyl]disulfanyl]-N-(3-fluorophenyl)propanamide
CID 44817242
3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-fluorophenyl)acetamide
CID 86955213
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid
CID 171154645
N-(3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 43037946
3-cyano-N-(3-fluorophenyl)propanamide
CID 82111905
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide
CID 11391010
3-[[3-(3-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 43466320
N-(3-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26579364

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(3-fluorophenyl)propanamide (CID 99774697) is 3-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(3-fluorophenyl)propanamide is O=C(CC[S@@](=O)C1Cc2ccccc2C1)Nc1cccc(F)c1.
What is the InChIKey of 3-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(3-fluorophenyl)propanamide?
The InChIKey is WRBXBPKPEIOSQD-HSZRJFAPSA-N. The full InChI is InChI=1S/C18H18FNO2S/c19-15-6-3-7-16(12-15)20-18(21)8-9-23(22)17-10-13-4-1-2-5-14(13)11-17/h1-7,12,17H,8-11H2,(H,20,21)/t23-/m1/s1.
What are the key properties of 3-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(3-fluorophenyl)propanamide?
3-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(3-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-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 99774697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).