N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide

C15H16BrN3O3S — CID 113151708

IUPACN-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1Br)Cc1cccnc1
InChIInChI=1S/C15H16BrN3O3S/c1-23(21,22)19(10-12-5-4-8-17-9-12)11-15(20)18-14-7-3-2-6-13(14)16/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeySUAMTRLAPPRAAX-UHFFFAOYSA-N
MW398.28 g/mol
LogP2.24
Rot. Bonds6

About N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide

N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide (PubChem CID 113151708) has the molecular formula C15H16BrN3O3S and a molecular weight of 398.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
PubChem CID113151708
Molecular FormulaC15H16BrN3O3S
Molecular Weight398.28 g/mol
Exact Mass397.01
IUPAC NameN-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1Br)Cc1cccnc1
InChIInChI=1S/C15H16BrN3O3S/c1-23(21,22)19(10-12-5-4-8-17-9-12)11-15(20)18-14-7-3-2-6-13(14)16/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeySUAMTRLAPPRAAX-UHFFFAOYSA-N
XLogP2.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
CID 2223290
N-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151652
N-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151704
2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113151663
N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151684
N-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150212
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide
CID 113139932
N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151614
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 2230213
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 113139998
N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563126
2-[(4-methoxyphenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 113151269

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide (CID 113151708) is N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1Br)Cc1cccnc1.
What is the InChIKey of N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide?
The InChIKey is SUAMTRLAPPRAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O3S/c1-23(21,22)19(10-12-5-4-8-17-9-12)11-15(20)18-14-7-3-2-6-13(14)16/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide?
N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide has a molecular weight of 398.28 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 113151708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).