2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide

C12H15Br2NOS — CID 103883078

IUPAC2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
SMILESCCSCC(C)NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H15Br2NOS/c1-3-17-7-8(2)15-12(16)10-5-4-9(13)6-11(10)14/h4-6,8H,3,7H2,1-2H3,(H,15,16)
InChIKeyBPYBIZNBNKEVSV-UHFFFAOYSA-N
MW381.13 g/mol
LogP4.08
Rot. Bonds5

About 2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide

2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide (PubChem CID 103883078) has the molecular formula C12H15Br2NOS and a molecular weight of 381.13 g/mol. Its IUPAC name is 2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
PubChem CID103883078
Molecular FormulaC12H15Br2NOS
Molecular Weight381.13 g/mol
Exact Mass378.92
IUPAC Name2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
SMILESCCSCC(C)NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H15Br2NOS/c1-3-17-7-8(2)15-12(16)10-5-4-9(13)6-11(10)14/h4-6,8H,3,7H2,1-2H3,(H,15,16)
InChIKeyBPYBIZNBNKEVSV-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.13
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide 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

4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 115662215
3-[(2,4-dibromobenzoyl)amino]butanoic acid
CID 107937736
2,4-dibromo-N-heptan-2-ylbenzamide
CID 114019926
3-bromo-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide
CID 106547482
3-amino-5-bromo-N-(1-ethylsulfanylpropan-2-yl)-2-methylbenzamide
CID 107873145
4-bromo-N-(1-ethylsulfanylpropan-2-yl)-2,6-difluorobenzamide
CID 115686786
(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid
CID 107937824
3-amino-2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 113498897
5-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide
CID 115662149
N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide
CID 115662245
4-bromo-N-butan-2-yl-2-hydroxybenzamide
CID 47435868
methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate
CID 103882309

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide?
The IUPAC name of 2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide (CID 103883078) is 2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide is CCSCC(C)NC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide?
The InChIKey is BPYBIZNBNKEVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NOS/c1-3-17-7-8(2)15-12(16)10-5-4-9(13)6-11(10)14/h4-6,8H,3,7H2,1-2H3,(H,15,16).
What are the key properties of 2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide?
2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide has a molecular weight of 381.13 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide is sourced from PubChem (CID 103883078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).