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

C14H16BrN5O3S — CID 6623835

IUPAC2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1ccccn1)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C14H16BrN5O3S/c1-20(9-13(21)18-8-11-4-2-3-5-17-11)24(22,23)12-6-10(15)7-19-14(12)16/h2-7H,8-9H2,1H3,(H2,16,19)(H,18,21)
InChIKeyCJCJISDKRMHNCT-UHFFFAOYSA-N
MW414.29 g/mol
LogP0.76
Rot. Bonds6

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

2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 6623835) has the molecular formula C14H16BrN5O3S and a molecular weight of 414.29 g/mol. Its IUPAC name is 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID6623835
Molecular FormulaC14H16BrN5O3S
Molecular Weight414.29 g/mol
Exact Mass413.02
IUPAC Name2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1ccccn1)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C14H16BrN5O3S/c1-20(9-13(21)18-8-11-4-2-3-5-17-11)24(22,23)12-6-10(15)7-19-14(12)16/h2-7H,8-9H2,1H3,(H2,16,19)(H,18,21)
InChIKeyCJCJISDKRMHNCT-UHFFFAOYSA-N
XLogP0.76
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 22516457
2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 3163372
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-methylcyclohexyl)acetamide
CID 22516465
5-bromo-N-methyl-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]thiophene-2-carboxamide
CID 47051943
2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 113150116
2-amino-5-bromo-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 62158319
2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 79487909
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 1120654
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 45375642
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 30265485
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 113150524

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide (CID 6623835) is 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide is CN(CC(=O)NCc1ccccn1)S(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is CJCJISDKRMHNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5O3S/c1-20(9-13(21)18-8-11-4-2-3-5-17-11)24(22,23)12-6-10(15)7-19-14(12)16/h2-7H,8-9H2,1H3,(H2,16,19)(H,18,21).
What are the key properties of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 414.29 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 6623835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).