2-[(2-amino-2-oxoethyl)-[(5-bromo-3-pyridinyl)sulfonyl]amino]acetamide

C9H11BrN4O4S — CID 62921775

IUPAC2-[(2-amino-2-oxoethyl)-[(5-bromo-3-pyridinyl)sulfonyl]amino]acetamide
SMILESNC(=O)CN(CC(N)=O)S(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C9H11BrN4O4S/c10-6-1-7(3-13-2-6)19(17,18)14(4-8(11)15)5-9(12)16/h1-3H,4-5H2,(H2,11,15)(H2,12,16)
InChIKeyPYSCEKNYYRAWRU-UHFFFAOYSA-N
MW351.18 g/mol
LogP-1.19
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-[(5-bromo-3-pyridinyl)sulfonyl]amino]acetamide

2-[(2-amino-2-oxoethyl)-[(5-bromo-3-pyridinyl)sulfonyl]amino]acetamide (PubChem CID 62921775) has the molecular formula C9H11BrN4O4S and a molecular weight of 351.18 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(5-bromo-3-pyridinyl)sulfonyl]amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(5-bromo-3-pyridinyl)sulfonyl]amino]acetamide
PubChem CID62921775
Molecular FormulaC9H11BrN4O4S
Molecular Weight351.18 g/mol
Exact Mass349.97
IUPAC Name2-[(2-amino-2-oxoethyl)-[(5-bromo-3-pyridinyl)sulfonyl]amino]acetamide
SMILESNC(=O)CN(CC(N)=O)S(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C9H11BrN4O4S/c10-6-1-7(3-13-2-6)19(17,18)14(4-8(11)15)5-9(12)16/h1-3H,4-5H2,(H2,11,15)(H2,12,16)
InChIKeyPYSCEKNYYRAWRU-UHFFFAOYSA-N
XLogP-1.19
TPSA136.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-2-oxoethyl)-(3-bromo-4-chlorophenyl)sulfonylamino]acetamide
CID 106546067
2-[(5-bromo-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62818897
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide
CID 79667609
5-bromo-N-methyl-N-propylpyridine-3-sulfonamide
CID 55207622
5-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-sulfonamide;hydrochloride
CID 119967553
2-[(4-bromophenyl)sulfonyl-butylamino]acetamide
CID 47204425
2-[(5-bromo-3-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 104531665
5-bromo-N-(2-ethoxyethyl)-N-methylpyridine-3-sulfonamide
CID 81062093
2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 115328962
5-bromopyridine-3-sulfonyl chloride;ethane
CID 143729896
N-(3-aminophenyl)-5-bromo-N-ethylpyridine-3-sulfonamide
CID 63229538
2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide
CID 62923168

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(5-bromo-3-pyridinyl)sulfonyl]amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(5-bromo-3-pyridinyl)sulfonyl]amino]acetamide (CID 62921775) is 2-[(2-amino-2-oxoethyl)-[(5-bromo-3-pyridinyl)sulfonyl]amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(5-bromo-3-pyridinyl)sulfonyl]amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(5-bromo-3-pyridinyl)sulfonyl]amino]acetamide is NC(=O)CN(CC(N)=O)S(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(5-bromo-3-pyridinyl)sulfonyl]amino]acetamide?
The InChIKey is PYSCEKNYYRAWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O4S/c10-6-1-7(3-13-2-6)19(17,18)14(4-8(11)15)5-9(12)16/h1-3H,4-5H2,(H2,11,15)(H2,12,16).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(5-bromo-3-pyridinyl)sulfonyl]amino]acetamide?
2-[(2-amino-2-oxoethyl)-[(5-bromo-3-pyridinyl)sulfonyl]amino]acetamide has a molecular weight of 351.18 g/mol, XLogP of -1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(5-bromo-3-pyridinyl)sulfonyl]amino]acetamide is sourced from PubChem (CID 62921775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).