2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide

C15H15BrN2O2S — CID 43306176

IUPAC2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1ccc(Br)cc1N
InChIInChI=1S/C15H15BrN2O2S/c1-20-13-5-3-2-4-12(13)18-15(19)9-21-14-7-6-10(16)8-11(14)17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyHKLUSBAKRHQFRV-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.77
Rot. Bonds5

About 2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide

2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide (PubChem CID 43306176) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
PubChem CID43306176
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1ccc(Br)cc1N
InChIInChI=1S/C15H15BrN2O2S/c1-20-13-5-3-2-4-12(13)18-15(19)9-21-14-7-6-10(16)8-11(14)17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyHKLUSBAKRHQFRV-UHFFFAOYSA-N
XLogP3.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 87030481
2-(2-amino-4-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide
CID 43306161
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
N-(5-amino-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29268840
2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide
CID 43305964
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 9342244
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide
CID 43304005
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 3873196
N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 43345463
2-(4-tert-butylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 7847474
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 7335677

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide (CID 43306176) is 2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSc1ccc(Br)cc1N.
What is the InChIKey of 2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The InChIKey is HKLUSBAKRHQFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-20-13-5-3-2-4-12(13)18-15(19)9-21-14-7-6-10(16)8-11(14)17/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide?
2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide has a molecular weight of 367.27 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 43306176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).