N-(5-bromo-2-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide

C15H12BrF2NO2S — CID 55905900

IUPACN-(5-bromo-2-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
SMILESCOc1ccc(Br)cc1NC(=O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C15H12BrF2NO2S/c1-21-14-5-2-9(16)6-13(14)19-15(20)8-22-10-3-4-11(17)12(18)7-10/h2-7H,8H2,1H3,(H,19,20)
InChIKeyCSONWYOMBDRVRR-UHFFFAOYSA-N
MW388.23 g/mol
LogP4.47
Rot. Bonds5

About N-(5-bromo-2-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide

N-(5-bromo-2-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide (PubChem CID 55905900) has the molecular formula C15H12BrF2NO2S and a molecular weight of 388.23 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
PubChem CID55905900
Molecular FormulaC15H12BrF2NO2S
Molecular Weight388.23 g/mol
Exact Mass386.97
IUPAC NameN-(5-bromo-2-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
SMILESCOc1ccc(Br)cc1NC(=O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C15H12BrF2NO2S/c1-21-14-5-2-9(16)6-13(14)19-15(20)8-22-10-3-4-11(17)12(18)7-10/h2-7H,8H2,1H3,(H,19,20)
InChIKeyCSONWYOMBDRVRR-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 9055699
N-(5-chloro-2-methoxyphenyl)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methylamino]acetamide
CID 8926523
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2609676
2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 846639
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 46799772
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 26552817
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543
2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide
CID 79129889
2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 2708523
2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4,5-dimethoxybenzoic acid
CID 24991816
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide (CID 55905900) is N-(5-bromo-2-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide is COc1ccc(Br)cc1NC(=O)CSc1ccc(F)c(F)c1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide?
The InChIKey is CSONWYOMBDRVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO2S/c1-21-14-5-2-9(16)6-13(14)19-15(20)8-22-10-3-4-11(17)12(18)7-10/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide?
N-(5-bromo-2-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide has a molecular weight of 388.23 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide is sourced from PubChem (CID 55905900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).