4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide

C11H14BrNO2S — CID 78987502

IUPAC4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)NCCSC
InChIInChI=1S/C11H14BrNO2S/c1-15-10-7-8(12)3-4-9(10)11(14)13-5-6-16-2/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyONMORDWCUCOHEI-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.55
Rot. Bonds5

About 4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide

4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide (PubChem CID 78987502) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide
PubChem CID78987502
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)NCCSC
InChIInChI=1S/C11H14BrNO2S/c1-15-10-7-8(12)3-4-9(10)11(14)13-5-6-16-2/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyONMORDWCUCOHEI-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-bromo-2-methoxy-N-(2-phenylethyl)benzamide
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4-bromo-N-(4-hydroxypentyl)-2-methoxybenzamide
CID 107300567
4-bromo-N-(2-methylsulfanylethyl)-2-(trifluoromethyl)benzamide
CID 113352612
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472
4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
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N-benzyl-4-bromo-2-methoxybenzamide
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CID 102906384

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide (CID 78987502) is 4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide is COc1cc(Br)ccc1C(=O)NCCSC.
What is the InChIKey of 4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide?
The InChIKey is ONMORDWCUCOHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-15-10-7-8(12)3-4-9(10)11(14)13-5-6-16-2/h3-4,7H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide?
4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide has a molecular weight of 304.21 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide is sourced from PubChem (CID 78987502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).