4-bromo-N-(3-methylsulfanylpropyl)benzamide

C11H14BrNOS — CID 63959814

IUPAC4-bromo-N-(3-methylsulfanylpropyl)benzamide
SMILESCSCCCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNOS/c1-15-8-2-7-13-11(14)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyDKGNJGBJBGXTFA-UHFFFAOYSA-N
MW288.21 g/mol
LogP2.93
Rot. Bonds5

About 4-bromo-N-(3-methylsulfanylpropyl)benzamide

4-bromo-N-(3-methylsulfanylpropyl)benzamide (PubChem CID 63959814) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is 4-bromo-N-(3-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(3-methylsulfanylpropyl)benzamide
PubChem CID63959814
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name4-bromo-N-(3-methylsulfanylpropyl)benzamide
SMILESCSCCCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNOS/c1-15-8-2-7-13-11(14)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyDKGNJGBJBGXTFA-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-methylsulfanylpropyl)benzamide
CID 63981762
4-bromo-N-pentylbenzamide
CID 4167913
4-bromo-N-hexadecylbenzamide
CID 54791037
4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide
CID 113488238
4-iodo-N-(5-methylsulfanylpentyl)benzamide
CID 104920149
4-bromo-N-[2-[[N-ethyl-N'-(4-methylsulfanylbutyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111629167
4-bromo-N-[2-(butylcarbamoylamino)ethyl]benzamide
CID 47322695
4-bromo-2-methoxy-N-(3-methylsulfanylpropyl)benzamide
CID 78994367
4-bromo-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862163
4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide
CID 109043765
3,4-dihydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 103957170
5-bromo-2-methyl-N-(5-methylsulfanylpentyl)benzamide
CID 104920100

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-methylsulfanylpropyl)benzamide?
The IUPAC name of 4-bromo-N-(3-methylsulfanylpropyl)benzamide (CID 63959814) is 4-bromo-N-(3-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 4-bromo-N-(3-methylsulfanylpropyl)benzamide?
The canonical SMILES for 4-bromo-N-(3-methylsulfanylpropyl)benzamide is CSCCCNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(3-methylsulfanylpropyl)benzamide?
The InChIKey is DKGNJGBJBGXTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-15-8-2-7-13-11(14)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3,(H,13,14).
What are the key properties of 4-bromo-N-(3-methylsulfanylpropyl)benzamide?
4-bromo-N-(3-methylsulfanylpropyl)benzamide has a molecular weight of 288.21 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 63959814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).