2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide

C15H14ClNO2S — CID 129364825

IUPAC2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide
SMILESNC(=O)C[S@](=O)Cc1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClNO2S/c16-14-6-2-5-13(8-14)12-4-1-3-11(7-12)9-20(19)10-15(17)18/h1-8H,9-10H2,(H2,17,18)/t20-/m1/s1
InChIKeyXYPLLOQTBFDCBP-HXUWFJFHSA-N
MW307.80 g/mol
LogP2.74
Rot. Bonds5

About 2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide

2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide (PubChem CID 129364825) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide
PubChem CID129364825
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide
SMILESNC(=O)C[S@](=O)Cc1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClNO2S/c16-14-6-2-5-13(8-14)12-4-1-3-11(7-12)9-20(19)10-15(17)18/h1-8H,9-10H2,(H2,17,18)/t20-/m1/s1
InChIKeyXYPLLOQTBFDCBP-HXUWFJFHSA-N
XLogP2.74
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide
CID 129411314
2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide
CID 86077591
2-[[3-(4-ethoxyphenyl)phenyl]methylsulfinyl]acetamide
CID 11536986
2-[(3-methylidenealumanylphenyl)methylsulfinyl]acetamide
CID 147101332
2-[(R)-(4-phenylphenyl)methylsulfinyl]acetamide
CID 129364182
2-[3-(3-chlorophenyl)phenyl]acetate
CID 7022503
2-benzylsulfinylacetamide;ethane
CID 91390108
1-(benzylsulfinylmethyl)-3-chlorobenzene
CID 47022757
4-[4-(3-chlorophenyl)phenyl]-4-oxobutanamide
CID 172686182
2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide
CID 129411324
2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-fluorophenyl)acetamide
CID 95169102
2-[(R)-dibenzofuran-2-ylmethylsulfinyl]acetamide
CID 129383109

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide?
The IUPAC name of 2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide (CID 129364825) is 2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide.
What is the SMILES notation for 2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide?
The canonical SMILES for 2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide is NC(=O)C[S@](=O)Cc1cccc(-c2cccc(Cl)c2)c1.
What is the InChIKey of 2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide?
The InChIKey is XYPLLOQTBFDCBP-HXUWFJFHSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c16-14-6-2-5-13(8-14)12-4-1-3-11(7-12)9-20(19)10-15(17)18/h1-8H,9-10H2,(H2,17,18)/t20-/m1/s1.
What are the key properties of 2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide?
2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide has a molecular weight of 307.80 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide is sourced from PubChem (CID 129364825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).