2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide

C16H19BrN4O3S — CID 22516457

IUPAC2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C16H19BrN4O3S/c1-3-11-6-4-5-7-13(11)20-15(22)10-21(2)25(23,24)14-8-12(17)9-19-16(14)18/h4-9H,3,10H2,1-2H3,(H2,18,19)(H,20,22)
InChIKeyQLHFXFLUQKSTQA-UHFFFAOYSA-N
MW427.32 g/mol
LogP2.25
Rot. Bonds6

About 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide

2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide (PubChem CID 22516457) has the molecular formula C16H19BrN4O3S and a molecular weight of 427.32 g/mol. Its IUPAC name is 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide
PubChem CID22516457
Molecular FormulaC16H19BrN4O3S
Molecular Weight427.32 g/mol
Exact Mass426.04
IUPAC Name2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C16H19BrN4O3S/c1-3-11-6-4-5-7-13(11)20-15(22)10-21(2)25(23,24)14-8-12(17)9-19-16(14)18/h4-9H,3,10H2,1-2H3,(H2,18,19)(H,20,22)
InChIKeyQLHFXFLUQKSTQA-UHFFFAOYSA-N
XLogP2.25
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 6623835
2-amino-5-bromo-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 62158319
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-methylcyclohexyl)acetamide
CID 22516465
2-[(2-cyanophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 26943718
2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]-N-(2-ethylphenyl)acetamide
CID 133481539
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-ethylsulfonylphenyl)acetamide
CID 55973446
N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46562888
2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 79487909
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-ethylphenyl)acetamide
CID 30169534
2-[2-[[2-[ethylsulfonyl(methyl)amino]acetyl]amino]phenyl]acetic acid
CID 119353088
2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 9039948
2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide
CID 113178115

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide (CID 22516457) is 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide?
The InChIKey is QLHFXFLUQKSTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O3S/c1-3-11-6-4-5-7-13(11)20-15(22)10-21(2)25(23,24)14-8-12(17)9-19-16(14)18/h4-9H,3,10H2,1-2H3,(H2,18,19)(H,20,22).
What are the key properties of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide?
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide has a molecular weight of 427.32 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 22516457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).