2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide

C15H14BrNO2S — CID 92513721

IUPAC2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2ccccc2Br)c1
InChIInChI=1S/C15H14BrNO2S/c1-19-12-6-4-5-11(9-12)17-15(18)10-20-14-8-3-2-7-13(14)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyRXTCDLYOWKVGJN-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.19
Rot. Bonds5

About 2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide

2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide (PubChem CID 92513721) has the molecular formula C15H14BrNO2S and a molecular weight of 352.25 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
PubChem CID92513721
Molecular FormulaC15H14BrNO2S
Molecular Weight352.25 g/mol
Exact Mass350.99
IUPAC Name2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2ccccc2Br)c1
InChIInChI=1S/C15H14BrNO2S/c1-19-12-6-4-5-11(9-12)17-15(18)10-20-14-8-3-2-7-13(14)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyRXTCDLYOWKVGJN-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

2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 126181557
N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799539
2-(2-bromophenoxy)-N-(3-methoxyphenyl)acetamide
CID 729437
(1-amino-1-oxopropan-2-yl) 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 42898886
[2-(3-fluoroanilino)-2-oxoethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 42104493
N-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 26915197
N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide
CID 86910684
N-(3-methoxyphenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712816
N-(3-methoxyphenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenyl]sulfanylacetamide
CID 119578115
2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 24706009
2-bromo-N-[[4-ethyl-5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
CID 2220029
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 55392351

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide (CID 92513721) is 2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CSc2ccccc2Br)c1.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide?
The InChIKey is RXTCDLYOWKVGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2S/c1-19-12-6-4-5-11(9-12)17-15(18)10-20-14-8-3-2-7-13(14)16/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide?
2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide 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 2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 92513721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).