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

C12H17BrN2OS — CID 82840597

IUPAC2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CSc1ccc(N)cc1Br
InChIInChI=1S/C12H17BrN2OS/c1-8(2)6-15-12(16)7-17-11-4-3-9(14)5-10(11)13/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyRALBWFHOCMLAJF-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.90
Rot. Bonds5

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

2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methylpropyl)acetamide (PubChem CID 82840597) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is 2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methylpropyl)acetamide
PubChem CID82840597
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CSc1ccc(N)cc1Br
InChIInChI=1S/C12H17BrN2OS/c1-8(2)6-15-12(16)7-17-11-4-3-9(14)5-10(11)13/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyRALBWFHOCMLAJF-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-bromophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 82840777
2-(4-amino-2-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 82841648
2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 82841898
2-(4-amino-2-bromophenyl)sulfanyl-N-heptan-2-ylacetamide
CID 82840579
2-(4-amino-2-bromophenyl)sulfanyl-N-(2-bromophenyl)acetamide
CID 82841973
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(2-methylpropyl)acetamide
CID 43247404
2-(4-amino-2-bromophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 82838734
2-(4-amino-2-bromophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 82838705
2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
CID 43305811
2-(4-amino-2-bromophenyl)sulfanyl-N-ethyl-N-methylacetamide
CID 82841917
2-(4-amino-2-bromophenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 82838713
2-(4-amino-2-bromophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 82841279

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methylpropyl)acetamide (CID 82840597) is 2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CSc1ccc(N)cc1Br.
What is the InChIKey of 2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methylpropyl)acetamide?
The InChIKey is RALBWFHOCMLAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-8(2)6-15-12(16)7-17-11-4-3-9(14)5-10(11)13/h3-5,8H,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methylpropyl)acetamide?
2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methylpropyl)acetamide has a molecular weight of 317.25 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 82840597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).