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

C10H12BrNOS — CID 51889373

IUPAC2-bromo-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCNC(=O)c1ccccc1Br
InChIInChI=1S/C10H12BrNOS/c1-14-7-6-12-10(13)8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyOKXIFYMTKMMVSW-UHFFFAOYSA-N
MW274.18 g/mol
LogP2.54
Rot. Bonds4

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

2-bromo-N-(2-methylsulfanylethyl)benzamide (PubChem CID 51889373) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is 2-bromo-N-(2-methylsulfanylethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-methylsulfanylethyl)benzamide
PubChem CID51889373
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC Name2-bromo-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCNC(=O)c1ccccc1Br
InChIInChI=1S/C10H12BrNOS/c1-14-7-6-12-10(13)8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyOKXIFYMTKMMVSW-UHFFFAOYSA-N
XLogP2.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 52.54
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

2-bromo-N-(2-chloroethyl)benzamide
CID 12793324
methyl 2-[3-[(2-bromobenzoyl)amino]propanoylamino]-4-methylsulfanylbutanoate
CID 51065009
N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide
CID 63957461
2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571223
2-bromo-N-(3-methylsulfinylpropyl)benzamide
CID 115619981
N-(2-methylsulfanylethyl)-2-[3-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 58451928
2-bromo-N-[2-(butanoylamino)ethyl]benzamide
CID 108571199
2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride
CID 119944236
3-hydroxy-N-(2-methylsulfanylethyl)naphthalene-2-carboxamide
CID 60629996
2-bromo-N-(4-bromopentyl)benzamide
CID 106131142
2-bromo-N-[2-(3,3-dimethylbutanoylamino)ethyl]benzamide
CID 108571210
2-[(2-bromobenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 3847081

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methylsulfanylethyl)benzamide?
The IUPAC name of 2-bromo-N-(2-methylsulfanylethyl)benzamide (CID 51889373) is 2-bromo-N-(2-methylsulfanylethyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-methylsulfanylethyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-methylsulfanylethyl)benzamide is CSCCNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-methylsulfanylethyl)benzamide?
The InChIKey is OKXIFYMTKMMVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c1-14-7-6-12-10(13)8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of 2-bromo-N-(2-methylsulfanylethyl)benzamide?
2-bromo-N-(2-methylsulfanylethyl)benzamide has a molecular weight of 274.18 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methylsulfanylethyl)benzamide is sourced from PubChem (CID 51889373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).