3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3,5-dimethoxyphenyl)propanamide

C16H19BrN4O5S — CID 24791921

IUPAC3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)cc(OC)c1
InChIInChI=1S/C16H19BrN4O5S/c1-25-12-6-11(7-13(8-12)26-2)21-15(22)3-4-20-27(23,24)14-5-10(17)9-19-16(14)18/h5-9,20H,3-4H2,1-2H3,(H2,18,19)(H,21,22)
InChIKeyCBIRGIKHHGYLPZ-UHFFFAOYSA-N
MW459.32 g/mol
LogP1.75
Rot. Bonds8

About 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3,5-dimethoxyphenyl)propanamide

3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3,5-dimethoxyphenyl)propanamide (PubChem CID 24791921) has the molecular formula C16H19BrN4O5S and a molecular weight of 459.32 g/mol. Its IUPAC name is 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3,5-dimethoxyphenyl)propanamide
PubChem CID24791921
Molecular FormulaC16H19BrN4O5S
Molecular Weight459.32 g/mol
Exact Mass458.03
IUPAC Name3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)cc(OC)c1
InChIInChI=1S/C16H19BrN4O5S/c1-25-12-6-11(7-13(8-12)26-2)21-15(22)3-4-20-27(23,24)14-5-10(17)9-19-16(14)18/h5-9,20H,3-4H2,1-2H3,(H2,18,19)(H,21,22)
InChIKeyCBIRGIKHHGYLPZ-UHFFFAOYSA-N
XLogP1.75
TPSA132.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.32
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3,5-dimethoxyphenyl)propanamide?
The IUPAC name of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3,5-dimethoxyphenyl)propanamide (CID 24791921) is 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3,5-dimethoxyphenyl)propanamide is COc1cc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)cc(OC)c1.
What is the InChIKey of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3,5-dimethoxyphenyl)propanamide?
The InChIKey is CBIRGIKHHGYLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O5S/c1-25-12-6-11(7-13(8-12)26-2)21-15(22)3-4-20-27(23,24)14-5-10(17)9-19-16(14)18/h5-9,20H,3-4H2,1-2H3,(H2,18,19)(H,21,22).
What are the key properties of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3,5-dimethoxyphenyl)propanamide?
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3,5-dimethoxyphenyl)propanamide has a molecular weight of 459.32 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 24791921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).