2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide

C16H17NO2S — CID 95169335

IUPAC2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[S@](=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H17NO2S/c1-13-7-9-15(10-8-13)17-16(18)12-20(19)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18)/t20-/m1/s1
InChIKeyUDWFJXDCZKCWPX-HXUWFJFHSA-N
MW287.38 g/mol
LogP2.88
Rot. Bonds5

About 2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide

2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide (PubChem CID 95169335) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide
PubChem CID95169335
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[S@](=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H17NO2S/c1-13-7-9-15(10-8-13)17-16(18)12-20(19)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18)/t20-/m1/s1
InChIKeyUDWFJXDCZKCWPX-HXUWFJFHSA-N
XLogP2.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(4-methylanilino)-2-oxoethyl]sulfinylmethyl]benzoic acid
CID 123098878
2-[(R)-benzylsulfinyl]-N-(4-chlorophenyl)acetamide
CID 95169344
2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169391
2-[(S)-2-hydroxyethylsulfinyl]-N-(4-methylphenyl)acetamide
CID 97340010
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
2-[2-(4-methylanilino)-2-oxoethyl]sulfinylpropanoic acid
CID 54883354
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
N-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide
CID 110005569
4-[[2-[(3-methoxycarbonylphenyl)methylsulfinyl]acetyl]amino]benzoic acid
CID 123109907
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(4-methylphenyl)acetamide
CID 56726239
N-(4-fluorophenyl)-3-[(S)-(4-methylphenyl)methylsulfinyl]propanamide
CID 94795972
2-[(S)-[2-(4-methylanilino)-2-oxoethyl]sulfinyl]-N-[3-(N-methylanilino)propyl]acetamide
CID 11902759

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide (CID 95169335) is 2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)C[S@](=O)Cc2ccccc2)cc1.
What is the InChIKey of 2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide?
The InChIKey is UDWFJXDCZKCWPX-HXUWFJFHSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-13-7-9-15(10-8-13)17-16(18)12-20(19)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18)/t20-/m1/s1.
What are the key properties of 2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide?
2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide has a molecular weight of 287.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 95169335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).