2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide

C15H13BrFNOS — CID 7924484

IUPAC2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
SMILESCc1cc(F)ccc1NC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C15H13BrFNOS/c1-10-8-12(17)4-7-14(10)18-15(19)9-20-13-5-2-11(16)3-6-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyWGRKDPWJGBULLY-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.63
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide

2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide (PubChem CID 7924484) has the molecular formula C15H13BrFNOS and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
PubChem CID7924484
Molecular FormulaC15H13BrFNOS
Molecular Weight354.24 g/mol
Exact Mass352.99
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
SMILESCc1cc(F)ccc1NC(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C15H13BrFNOS/c1-10-8-12(17)4-7-14(10)18-15(19)9-20-13-5-2-11(16)3-6-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyWGRKDPWJGBULLY-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528206
N-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 9055699
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 3888191
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 2501507
2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2194605
2-(4-amino-3-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide
CID 79127531
2-(2-chlorophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
CID 31456340
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate
CID 29219382
N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide
CID 108956659
4-(4-bromophenoxy)-N-(4-fluoro-2-methylphenyl)butanamide
CID 2526499
N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 103274665

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide (CID 7924484) is 2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide is Cc1cc(F)ccc1NC(=O)CSc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide?
The InChIKey is WGRKDPWJGBULLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNOS/c1-10-8-12(17)4-7-14(10)18-15(19)9-20-13-5-2-11(16)3-6-13/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide has a molecular weight of 354.24 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 7924484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).