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

C16H15BrFNO2S — CID 42953973

IUPAC2-[(2-bromo-4-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)Cc2ccc(F)cc2Br)cc1
InChIInChI=1S/C16H15BrFNO2S/c1-11-2-6-14(7-3-11)19-16(20)10-22(21)9-12-4-5-13(18)8-15(12)17/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyVUQDCZGYAGSHMS-UHFFFAOYSA-N
MW384.27 g/mol
LogP3.78
Rot. Bonds5

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

2-[(2-bromo-4-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide (PubChem CID 42953973) has the molecular formula C16H15BrFNO2S and a molecular weight of 384.27 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide
PubChem CID42953973
Molecular FormulaC16H15BrFNO2S
Molecular Weight384.27 g/mol
Exact Mass383.00
IUPAC Name2-[(2-bromo-4-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)Cc2ccc(F)cc2Br)cc1
InChIInChI=1S/C16H15BrFNO2S/c1-11-2-6-14(7-3-11)19-16(20)10-22(21)9-12-4-5-13(18)8-15(12)17/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyVUQDCZGYAGSHMS-UHFFFAOYSA-N
XLogP3.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169391
2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169335
2-[(S)-2-hydroxyethylsulfinyl]-N-(4-methylphenyl)acetamide
CID 97340010
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
N-(4-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfinyl]acetamide
CID 110005569
N-(4-fluorophenyl)-3-[(S)-(4-methylphenyl)methylsulfinyl]propanamide
CID 94795972
3-[[2-(4-methylanilino)-2-oxoethyl]sulfinylmethyl]benzoic acid
CID 123098878
methyl 2-[1-[(2-bromo-4-fluorophenyl)methylsulfinylmethyl]cyclopropyl]acetate
CID 107777949
2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide
CID 82839190
2-bromo-4-fluoro-1-[(4-fluorophenyl)sulfinylmethyl]benzene
CID 64715851
N-(2-bromo-5-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 103753599
2-(2,6-dibromo-4-methylanilino)-N-(4-fluorophenyl)acetamide
CID 28991479

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide (CID 42953973) is 2-[(2-bromo-4-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CS(=O)Cc2ccc(F)cc2Br)cc1.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide?
The InChIKey is VUQDCZGYAGSHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2S/c1-11-2-6-14(7-3-11)19-16(20)10-22(21)9-12-4-5-13(18)8-15(12)17/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide?
2-[(2-bromo-4-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide has a molecular weight of 384.27 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 42953973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).