2-bromo-N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide

C13H18BrNO3S — CID 96531857

IUPAC2-bromo-N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide
SMILESCCN(C(=O)c1ccccc1Br)[C@H](C)CS(C)(=O)=O
InChIInChI=1S/C13H18BrNO3S/c1-4-15(10(2)9-19(3,17)18)13(16)11-7-5-6-8-12(11)14/h5-8,10H,4,9H2,1-3H3/t10-/m1/s1
InChIKeyHKRCKTROUSYPEK-SNVBAGLBSA-N
MW348.26 g/mol
LogP2.34
Rot. Bonds5

About 2-bromo-N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide

2-bromo-N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide (PubChem CID 96531857) has the molecular formula C13H18BrNO3S and a molecular weight of 348.26 g/mol. Its IUPAC name is 2-bromo-N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide
PubChem CID96531857
Molecular FormulaC13H18BrNO3S
Molecular Weight348.26 g/mol
Exact Mass347.02
IUPAC Name2-bromo-N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide
SMILESCCN(C(=O)c1ccccc1Br)[C@H](C)CS(C)(=O)=O
InChIInChI=1S/C13H18BrNO3S/c1-4-15(10(2)9-19(3,17)18)13(16)11-7-5-6-8-12(11)14/h5-8,10H,4,9H2,1-3H3/t10-/m1/s1
InChIKeyHKRCKTROUSYPEK-SNVBAGLBSA-N
XLogP2.34
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-butan-2-yl-N-ethylbenzamide
CID 43274061
N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide
CID 43460393
2-bromo-N-ethyl-N-methylbenzamide
CID 43243486
2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82952018
N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-3-phenylpropanamide
CID 96531863
N-ethyl-N-[(2S)-1-ethylsulfonylpropan-2-yl]-2-nitrobenzamide
CID 95625326
2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54945937
1-(2-bromophenyl)-N,2,5-trimethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]pyrrole-3-carboxamide
CID 99807299
2-bromo-N-methyl-N-pentan-3-ylbenzamide
CID 43571450
2,4-dibromo-N-butan-2-yl-N-ethylbenzamide
CID 107951577
1-ethyl-3-[(1S)-2-methyl-1-phenylpropyl]-1-[(2R)-1-methylsulfonylpropan-2-yl]urea
CID 96532269
N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 96531858

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide?
The IUPAC name of 2-bromo-N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide (CID 96531857) is 2-bromo-N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide.
What is the SMILES notation for 2-bromo-N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide?
The canonical SMILES for 2-bromo-N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide is CCN(C(=O)c1ccccc1Br)[C@H](C)CS(C)(=O)=O.
What is the InChIKey of 2-bromo-N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide?
The InChIKey is HKRCKTROUSYPEK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18BrNO3S/c1-4-15(10(2)9-19(3,17)18)13(16)11-7-5-6-8-12(11)14/h5-8,10H,4,9H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-bromo-N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide?
2-bromo-N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide has a molecular weight of 348.26 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide is sourced from PubChem (CID 96531857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).