N-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide

C15H14BrNO2S — CID 7765787

IUPACN-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C15H14BrNO2S/c1-19-13-5-7-14(8-6-13)20-10-15(18)17-12-4-2-3-11(16)9-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyYQOUITPCJUUDFY-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.19
Rot. Bonds5

About N-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide

N-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 7765787) has the molecular formula C15H14BrNO2S and a molecular weight of 352.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID7765787
Molecular FormulaC15H14BrNO2S
Molecular Weight352.25 g/mol
Exact Mass350.99
IUPAC NameN-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C15H14BrNO2S/c1-19-13-5-7-14(8-6-13)20-10-15(18)17-12-4-2-3-11(16)9-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyYQOUITPCJUUDFY-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086503
N-(3-bromophenyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365163
2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide
CID 1055744
N-(3-bromophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 8713877
N-(3-bromophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 92645281
N-(3-bromophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2237478
[2-(3-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8547921
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8547908
3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22777789
N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide
CID 838500
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730
N-(3-methoxyphenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712816

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide (CID 7765787) is N-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is YQOUITPCJUUDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2S/c1-19-13-5-7-14(8-6-13)20-10-15(18)17-12-4-2-3-11(16)9-12/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
N-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 352.25 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 7765787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).