N-(5-bromo-6-methyl-2-pyridinyl)-2-propan-2-ylsulfonylacetamide

C11H15BrN2O3S — CID 71985294

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-2-propan-2-ylsulfonylacetamide
SMILESCc1nc(NC(=O)CS(=O)(=O)C(C)C)ccc1Br
InChIInChI=1S/C11H15BrN2O3S/c1-7(2)18(16,17)6-11(15)14-10-5-4-9(12)8(3)13-10/h4-5,7H,6H2,1-3H3,(H,13,14,15)
InChIKeyPZXLEOGCCQHOKW-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.91
Rot. Bonds4

About N-(5-bromo-6-methyl-2-pyridinyl)-2-propan-2-ylsulfonylacetamide

N-(5-bromo-6-methyl-2-pyridinyl)-2-propan-2-ylsulfonylacetamide (PubChem CID 71985294) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-2-propan-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-2-propan-2-ylsulfonylacetamide
PubChem CID71985294
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-2-propan-2-ylsulfonylacetamide
SMILESCc1nc(NC(=O)CS(=O)(=O)C(C)C)ccc1Br
InChIInChI=1S/C11H15BrN2O3S/c1-7(2)18(16,17)6-11(15)14-10-5-4-9(12)8(3)13-10/h4-5,7H,6H2,1-3H3,(H,13,14,15)
InChIKeyPZXLEOGCCQHOKW-UHFFFAOYSA-N
XLogP1.91
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-2-pyridinyl)-2-(phenylmethyl)sulfonylacetamide
CID 1094087
N~2~-[(4-bromophenyl)sulfonyl]-N~2~-methyl-N~1~-(6-methyl-2-pyridinyl)glycinamide
CID 2233591
N-(5-bromo-2-pyridinyl)-2-(phenylsulfonyl)acetamide
CID 4531342
3-(benzenesulfonyl)-N-(6-methylpyridin-2-yl)propanamide
CID 3163455
2-Acetamido-5-bromo-6-methylpyridine
CID 954589
3-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)propanamide
CID 3456804
N-(6-acetamido-5-bromo-2-pyridinyl)acetamide
CID 296011
N-(3-Bromo-6-methylpyridin-2-yl)acetamide
CID 59131061
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(6-methyl-2-pyridinyl)acetamide
CID 45810634
N-(5-bromo-6-methyl-2-pyridinyl)-2-methoxyethanesulfonamide
CID 71869236
N-(5-bromo-6-methyl-2-pyridinyl)-3-methoxypropanamide
CID 71987338
2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 24856003

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-propan-2-ylsulfonylacetamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-propan-2-ylsulfonylacetamide (CID 71985294) is N-(5-bromo-6-methyl-2-pyridinyl)-2-propan-2-ylsulfonylacetamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-2-propan-2-ylsulfonylacetamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-2-propan-2-ylsulfonylacetamide is Cc1nc(NC(=O)CS(=O)(=O)C(C)C)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-2-propan-2-ylsulfonylacetamide?
The InChIKey is PZXLEOGCCQHOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-7(2)18(16,17)6-11(15)14-10-5-4-9(12)8(3)13-10/h4-5,7H,6H2,1-3H3,(H,13,14,15).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-2-propan-2-ylsulfonylacetamide?
N-(5-bromo-6-methyl-2-pyridinyl)-2-propan-2-ylsulfonylacetamide has a molecular weight of 335.22 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-2-propan-2-ylsulfonylacetamide is sourced from PubChem (CID 71985294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).