N-(4-fluorophenyl)-3-[(S)-(4-methylphenyl)methylsulfinyl]propanamide

C17H18FNO2S — CID 94795972

IUPACN-(4-fluorophenyl)-3-[(S)-(4-methylphenyl)methylsulfinyl]propanamide
SMILESCc1ccc(C[S@@](=O)CCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2S/c1-13-2-4-14(5-3-13)12-22(21)11-10-17(20)19-16-8-6-15(18)7-9-16/h2-9H,10-12H2,1H3,(H,19,20)/t22-/m0/s1
InChIKeyAZFLZTIPMIQSLL-QFIPXVFZSA-N
MW319.40 g/mol
LogP3.41
Rot. Bonds6

About N-(4-fluorophenyl)-3-[(S)-(4-methylphenyl)methylsulfinyl]propanamide

N-(4-fluorophenyl)-3-[(S)-(4-methylphenyl)methylsulfinyl]propanamide (PubChem CID 94795972) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[(S)-(4-methylphenyl)methylsulfinyl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[(S)-(4-methylphenyl)methylsulfinyl]propanamide
PubChem CID94795972
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC NameN-(4-fluorophenyl)-3-[(S)-(4-methylphenyl)methylsulfinyl]propanamide
SMILESCc1ccc(C[S@@](=O)CCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2S/c1-13-2-4-14(5-3-13)12-22(21)11-10-17(20)19-16-8-6-15(18)7-9-16/h2-9H,10-12H2,1H3,(H,19,20)/t22-/m0/s1
InChIKeyAZFLZTIPMIQSLL-QFIPXVFZSA-N
XLogP3.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-tert-butylphenyl)methylsulfinyl]-N-(4-fluorophenyl)propanamide
CID 47087807
N-(4-fluorophenyl)-3-[(S)-(2-methylphenyl)methylsulfinyl]propanamide
CID 94795976
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide
CID 110005569
2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169335
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169391
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide
CID 41086197
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
N-(4-fluorophenyl)acetamide;N-(4-methylphenyl)acetamide
CID 158705281

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[(S)-(4-methylphenyl)methylsulfinyl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-3-[(S)-(4-methylphenyl)methylsulfinyl]propanamide (CID 94795972) is N-(4-fluorophenyl)-3-[(S)-(4-methylphenyl)methylsulfinyl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[(S)-(4-methylphenyl)methylsulfinyl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[(S)-(4-methylphenyl)methylsulfinyl]propanamide is Cc1ccc(C[S@@](=O)CCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-[(S)-(4-methylphenyl)methylsulfinyl]propanamide?
The InChIKey is AZFLZTIPMIQSLL-QFIPXVFZSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-13-2-4-14(5-3-13)12-22(21)11-10-17(20)19-16-8-6-15(18)7-9-16/h2-9H,10-12H2,1H3,(H,19,20)/t22-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-3-[(S)-(4-methylphenyl)methylsulfinyl]propanamide?
N-(4-fluorophenyl)-3-[(S)-(4-methylphenyl)methylsulfinyl]propanamide has a molecular weight of 319.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[(S)-(4-methylphenyl)methylsulfinyl]propanamide is sourced from PubChem (CID 94795972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).