2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide

C17H21BrN4O3S — CID 22516463

IUPAC2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1
InChIInChI=1S/C17H21BrN4O3S/c1-11(2)12-4-6-14(7-5-12)21-16(23)10-22(3)26(24,25)15-8-13(18)9-20-17(15)19/h4-9,11H,10H2,1-3H3,(H2,19,20)(H,21,23)
InChIKeyXWSIUNXKMXHAQN-UHFFFAOYSA-N
MW441.35 g/mol
LogP2.81
Rot. Bonds6

About 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide

2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 22516463) has the molecular formula C17H21BrN4O3S and a molecular weight of 441.35 g/mol. Its IUPAC name is 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID22516463
Molecular FormulaC17H21BrN4O3S
Molecular Weight441.35 g/mol
Exact Mass440.05
IUPAC Name2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1
InChIInChI=1S/C17H21BrN4O3S/c1-11(2)12-4-6-14(7-5-12)21-16(23)10-22(3)26(24,25)15-8-13(18)9-20-17(15)19/h4-9,11H,10H2,1-3H3,(H2,19,20)(H,21,23)
InChIKeyXWSIUNXKMXHAQN-UHFFFAOYSA-N
XLogP2.81
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide (CID 22516463) is 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1.
What is the InChIKey of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is XWSIUNXKMXHAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O3S/c1-11(2)12-4-6-14(7-5-12)21-16(23)10-22(3)26(24,25)15-8-13(18)9-20-17(15)19/h4-9,11H,10H2,1-3H3,(H2,19,20)(H,21,23).
What are the key properties of 2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide?
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 441.35 g/mol, XLogP of 2.81, 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-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 22516463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).