2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide

C16H16FNO2S — CID 95169391

IUPAC2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[S@](=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C16H16FNO2S/c1-12-5-7-15(8-6-12)18-16(19)11-21(20)10-13-3-2-4-14(17)9-13/h2-9H,10-11H2,1H3,(H,18,19)/t21-/m1/s1
InChIKeyGIARRLBSMIZUSC-OAQYLSRUSA-N
MW305.37 g/mol
LogP3.02
Rot. Bonds5

About 2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide

2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide (PubChem CID 95169391) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide
PubChem CID95169391
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[S@](=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C16H16FNO2S/c1-12-5-7-15(8-6-12)18-16(19)11-21(20)10-13-3-2-4-14(17)9-13/h2-9H,10-11H2,1H3,(H,18,19)/t21-/m1/s1
InChIKeyGIARRLBSMIZUSC-OAQYLSRUSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169335
3-[[2-(4-methylanilino)-2-oxoethyl]sulfinylmethyl]benzoic acid
CID 123098878
2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-fluorophenyl)acetamide
CID 95169102
2-[(2-bromo-4-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide
CID 42953973
N-(cyclopropylmethyl)-2-[(3-fluorophenyl)methylsulfinyl]acetamide
CID 56827603
N-cyclopentyl-2-[(R)-(3-fluorophenyl)methylsulfinyl]acetamide
CID 95169396
N-(3-cyanophenyl)-2-[(3-methylphenyl)methylsulfinyl]acetamide
CID 86927196
N-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide
CID 110005569
N-(4-fluorophenyl)-3-[(S)-(4-methylphenyl)methylsulfinyl]propanamide
CID 94795972
N-[2-(3-fluorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 31738193
4-[[2-[(3-methoxycarbonylphenyl)methylsulfinyl]acetyl]amino]benzoic acid
CID 123109907
2-[(S)-2-hydroxyethylsulfinyl]-N-(4-methylphenyl)acetamide
CID 97340010

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide (CID 95169391) is 2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)C[S@](=O)Cc2cccc(F)c2)cc1.
What is the InChIKey of 2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide?
The InChIKey is GIARRLBSMIZUSC-OAQYLSRUSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-12-5-7-15(8-6-12)18-16(19)11-21(20)10-13-3-2-4-14(17)9-13/h2-9H,10-11H2,1H3,(H,18,19)/t21-/m1/s1.
What are the key properties of 2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide?
2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide has a molecular weight of 305.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 95169391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).