2-[(R)-[4-(4-bromophenyl)phenyl]methylsulfinyl]acetamide

C15H14BrNO2S — CID 129411278

IUPAC2-[(R)-[4-(4-bromophenyl)phenyl]methylsulfinyl]acetamide
SMILESNC(=O)C[S@](=O)Cc1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H14BrNO2S/c16-14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-20(19)10-15(17)18/h1-8H,9-10H2,(H2,17,18)/t20-/m1/s1
InChIKeyDILHAOHTDWYNFW-HXUWFJFHSA-N
MW352.25 g/mol
LogP2.85
Rot. Bonds5

About 2-[(R)-[4-(4-bromophenyl)phenyl]methylsulfinyl]acetamide

2-[(R)-[4-(4-bromophenyl)phenyl]methylsulfinyl]acetamide (PubChem CID 129411278) has the molecular formula C15H14BrNO2S and a molecular weight of 352.25 g/mol. Its IUPAC name is 2-[(R)-[4-(4-bromophenyl)phenyl]methylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[(R)-[4-(4-bromophenyl)phenyl]methylsulfinyl]acetamide
PubChem CID129411278
Molecular FormulaC15H14BrNO2S
Molecular Weight352.25 g/mol
Exact Mass350.99
IUPAC Name2-[(R)-[4-(4-bromophenyl)phenyl]methylsulfinyl]acetamide
SMILESNC(=O)C[S@](=O)Cc1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H14BrNO2S/c16-14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-20(19)10-15(17)18/h1-8H,9-10H2,(H2,17,18)/t20-/m1/s1
InChIKeyDILHAOHTDWYNFW-HXUWFJFHSA-N
XLogP2.85
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(R)-(4-phenylphenyl)methylsulfinyl]acetamide
CID 129364182
2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide
CID 129411324
2-benzylsulfinylacetamide;ethane
CID 91390108
2-[(4-bromophenyl)methylsulfinyl]ethanol
CID 123105993
2-(4-bromophenyl)sulfinylacetamide
CID 130650723
2-[(3-methylidenealumanylphenyl)methylsulfinyl]acetamide
CID 147101332
2-[(2-bromophenyl)methylsulfinyl]acetamide;ethane
CID 91127842
2-[[3-(4-ethoxyphenyl)phenyl]methylsulfinyl]acetamide
CID 11536986
2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide
CID 129364825
5-[(4-bromophenyl)methylsulfinylmethyl]furan-2-carboxylic acid
CID 123106052
2-[4-(4-bromophenyl)phenoxy]acetamide
CID 7949184
2-[(R)-(3-thiophen-2-ylphenyl)methylsulfinyl]acetamide
CID 129411314

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-[4-(4-bromophenyl)phenyl]methylsulfinyl]acetamide?
The IUPAC name of 2-[(R)-[4-(4-bromophenyl)phenyl]methylsulfinyl]acetamide (CID 129411278) is 2-[(R)-[4-(4-bromophenyl)phenyl]methylsulfinyl]acetamide.
What is the SMILES notation for 2-[(R)-[4-(4-bromophenyl)phenyl]methylsulfinyl]acetamide?
The canonical SMILES for 2-[(R)-[4-(4-bromophenyl)phenyl]methylsulfinyl]acetamide is NC(=O)C[S@](=O)Cc1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[(R)-[4-(4-bromophenyl)phenyl]methylsulfinyl]acetamide?
The InChIKey is DILHAOHTDWYNFW-HXUWFJFHSA-N. The full InChI is InChI=1S/C15H14BrNO2S/c16-14-7-5-13(6-8-14)12-3-1-11(2-4-12)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)-[4-(4-bromophenyl)phenyl]methylsulfinyl]acetamide?
2-[(R)-[4-(4-bromophenyl)phenyl]methylsulfinyl]acetamide has a molecular weight of 352.25 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-[4-(4-bromophenyl)phenyl]methylsulfinyl]acetamide is sourced from PubChem (CID 129411278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).