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

C16H19BrN4O4S — CID 46272055

IUPAC3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C16H19BrN4O4S/c1-2-25-13-6-4-3-5-12(13)21-15(22)7-8-20-26(23,24)14-9-11(17)10-19-16(14)18/h3-6,9-10,20H,2,7-8H2,1H3,(H2,18,19)(H,21,22)
InChIKeyKTJVUSHZNUNULQ-UHFFFAOYSA-N
MW443.32 g/mol
LogP2.13
Rot. Bonds8

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

3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide (PubChem CID 46272055) has the molecular formula C16H19BrN4O4S and a molecular weight of 443.32 g/mol. Its IUPAC name is 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide
PubChem CID46272055
Molecular FormulaC16H19BrN4O4S
Molecular Weight443.32 g/mol
Exact Mass442.03
IUPAC Name3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C16H19BrN4O4S/c1-2-25-13-6-4-3-5-12(13)21-15(22)7-8-20-26(23,24)14-9-11(17)10-19-16(14)18/h3-6,9-10,20H,2,7-8H2,1H3,(H2,18,19)(H,21,22)
InChIKeyKTJVUSHZNUNULQ-UHFFFAOYSA-N
XLogP2.13
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.32
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide
CID 78768790
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
CID 46272049
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
2-amino-5-bromo-N-[2-(diethylamino)ethyl]pyridine-3-sulfonamide
CID 22515875
[2-(2-ethoxyanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2616323
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 22516457
2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide
CID 62156694
2-[(4-bromophenyl)methylsulfonylamino]-N-(2-ethoxyphenyl)acetamide
CID 22299888
3-(3-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039314
3-(2-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039768
[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35777078
5-bromo-N-(2-ethoxyphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62236676

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide (CID 46272055) is 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCNS(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide?
The InChIKey is KTJVUSHZNUNULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O4S/c1-2-25-13-6-4-3-5-12(13)21-15(22)7-8-20-26(23,24)14-9-11(17)10-19-16(14)18/h3-6,9-10,20H,2,7-8H2,1H3,(H2,18,19)(H,21,22).
What are the key properties of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide?
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide has a molecular weight of 443.32 g/mol, XLogP of 2.13, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 46272055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).