N-(4-amino-4-sulfanylidenebutan-2-yl)-3,5-dibromobenzamide

C11H12Br2N2OS — CID 114022621

IUPACN-(4-amino-4-sulfanylidenebutan-2-yl)-3,5-dibromobenzamide
SMILESCC(CC(N)=S)NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H12Br2N2OS/c1-6(2-10(14)17)15-11(16)7-3-8(12)5-9(13)4-7/h3-6H,2H2,1H3,(H2,14,17)(H,15,16)
InChIKeyLWIFIUPSRPMLON-UHFFFAOYSA-N
MW380.11 g/mol
LogP3.01
Rot. Bonds4

About N-(4-amino-4-sulfanylidenebutan-2-yl)-3,5-dibromobenzamide

N-(4-amino-4-sulfanylidenebutan-2-yl)-3,5-dibromobenzamide (PubChem CID 114022621) has the molecular formula C11H12Br2N2OS and a molecular weight of 380.11 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutan-2-yl)-3,5-dibromobenzamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutan-2-yl)-3,5-dibromobenzamide
PubChem CID114022621
Molecular FormulaC11H12Br2N2OS
Molecular Weight380.11 g/mol
Exact Mass377.90
IUPAC NameN-(4-amino-4-sulfanylidenebutan-2-yl)-3,5-dibromobenzamide
SMILESCC(CC(N)=S)NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H12Br2N2OS/c1-6(2-10(14)17)15-11(16)7-3-8(12)5-9(13)4-7/h3-6H,2H2,1H3,(H2,14,17)(H,15,16)
InChIKeyLWIFIUPSRPMLON-UHFFFAOYSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.11
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-amino-4-sulfanylidenebutan-2-yl)-3,5-dibromobenzamide 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-(4-amino-4-sulfanylidenebutan-2-yl)-3-bromo-5-methylbenzamide
CID 104851568
3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 103909357
3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide
CID 103908423
N-(4-amino-4-sulfanylidenebutan-2-yl)-3,4-dimethoxybenzamide
CID 62093873
N-(4-amino-4-sulfanylidenebutan-2-yl)-5-bromopyridine-2-carboxamide
CID 62960438
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4,6-trimethylbenzamide
CID 62092235
3,5-dibromo-N-(2-methylpentan-3-yl)benzamide
CID 107980373
3,5-dibromo-N-(3-methylbutan-2-yl)benzamide
CID 107980064
3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 107973108
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-3,5-dibromobenzamide
CID 114022873
(2R)-4-amino-2-[(3,5-dibromobenzoyl)amino]-4-oxobutanoic acid
CID 114022564
3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide
CID 107941244

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-3,5-dibromobenzamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-3,5-dibromobenzamide (CID 114022621) is N-(4-amino-4-sulfanylidenebutan-2-yl)-3,5-dibromobenzamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutan-2-yl)-3,5-dibromobenzamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutan-2-yl)-3,5-dibromobenzamide is CC(CC(N)=S)NC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutan-2-yl)-3,5-dibromobenzamide?
The InChIKey is LWIFIUPSRPMLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2OS/c1-6(2-10(14)17)15-11(16)7-3-8(12)5-9(13)4-7/h3-6H,2H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of N-(4-amino-4-sulfanylidenebutan-2-yl)-3,5-dibromobenzamide?
N-(4-amino-4-sulfanylidenebutan-2-yl)-3,5-dibromobenzamide has a molecular weight of 380.11 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-sulfanylidenebutan-2-yl)-3,5-dibromobenzamide is sourced from PubChem (CID 114022621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).