2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide

C10H11BrN2O2S — CID 63681205

IUPAC2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NC(=O)CBr
InChIInChI=1S/C10H11BrN2O2S/c11-5-10(15)13-7-3-1-2-4-8(7)16-6-9(12)14/h1-4H,5-6H2,(H2,12,14)(H,13,15)
InChIKeyDODUJYHJTOJTBM-UHFFFAOYSA-N
MW303.18 g/mol
LogP1.60
Rot. Bonds5

About 2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide

2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide (PubChem CID 63681205) has the molecular formula C10H11BrN2O2S and a molecular weight of 303.18 g/mol. Its IUPAC name is 2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
PubChem CID63681205
Molecular FormulaC10H11BrN2O2S
Molecular Weight303.18 g/mol
Exact Mass301.97
IUPAC Name2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NC(=O)CBr
InChIInChI=1S/C10H11BrN2O2S/c11-5-10(15)13-7-3-1-2-4-8(7)16-6-9(12)14/h1-4H,5-6H2,(H2,12,14)(H,13,15)
InChIKeyDODUJYHJTOJTBM-UHFFFAOYSA-N
XLogP1.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide
CID 46421409
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-(methylamino)butanamide
CID 54925110
2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27015578
2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27717418
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide
CID 78810399
(E)-4-[2-(2-amino-2-oxoethyl)sulfanylanilino]-4-oxobut-2-enoic acid
CID 54868379
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1,4-diazepan-1-yl)acetamide
CID 119906291
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 78810130
2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 63678703
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-chloro-2-methylpropanamide
CID 62727753
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-bromobenzamide
CID 7670731
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55389024

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide (CID 63681205) is 2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NC(=O)CBr.
What is the InChIKey of 2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide?
The InChIKey is DODUJYHJTOJTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S/c11-5-10(15)13-7-3-1-2-4-8(7)16-6-9(12)14/h1-4H,5-6H2,(H2,12,14)(H,13,15).
What are the key properties of 2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide?
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide has a molecular weight of 303.18 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide is sourced from PubChem (CID 63681205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).